Responsive image

Common name

4-(benzenesulfonyl)-N-methyl-aniline

IUPAC name

4-(benzenesulfonyl)-N-methyl-aniline

SMILES

c1(ccc(cc1)NC)S(=O)(=O)c2ccccc2

Common name

4-(benzenesulfonyl)-N-methyl-aniline

IUPAC name

4-(benzenesulfonyl)-N-methyl-aniline

SMILES

c1(ccc(cc1)NC)S(=O)(=O)c2ccccc2

INCHI

InChI=1S/C13H13NO2S/c1-14-11-7-9-13(10-8-11)17(15,16)12-5-3-2-4-6-12/h2-10,14H,1H3

FORMULA

C13H13NO2S

Responsive image

Common name

4-(benzenesulfonyl)-N-methyl-aniline

IUPAC name

4-(benzenesulfonyl)-N-methyl-aniline





Molecular weight

247.313

clogP

1.996

clogS

-3.922

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

46.17

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00993 Sulfoxone Responsive image Anti-Infective Agents; Sulfonamides; For the treatment of leprosy and dermatitis herpetiformis.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2pjt_ligand_4_35.mol2 2pjt 0.906977 -6.89 S(=O)(=O)(C)c1ccc(NC)cc1 12
4m6q_ligand_2_9.mol2 4m6q 0.651163 -7.50 c1(ccccc1)S(=O)(=O)c1ccccc1 15
4lts_ligand_2_0.mol2 4lts 0.651163 -7.49 S(=O)(=O)(c1ccccc1)c1ccccc1 15
4m6p_ligand_2_0.mol2 4m6p 0.651163 -7.49 c1(ccccc1)S(=O)(=O)c1ccccc1 15
4jnm_ligand_2_0.mol2 4jnm 0.651163 -7.45 c1(ccccc1)S(=O)(=O)c1ccccc1 15
4o13_ligand_2_5.mol2 4o13 0.651163 -7.44 c1(ccccc1)S(=O)(=O)c1ccccc1 15
4o15_ligand_2_5.mol2 4o15 0.651163 -7.43 S(=O)(=O)(c1ccccc1)c1ccccc1 15
4lww_ligand_2_0.mol2 4lww 0.651163 -7.41 S(=O)(=O)(c1ccccc1)c1ccccc1 15
1okl_ligand.mol2 1okl 0.634615 -7.74 c1(cccc2c(cccc12)N(C)C)S(=O)(=O)N 18
3frg_ligand_3_3.mol2 3frg 0.621212 -8.09 c1(ccccc1)Nc1ccnc2ccc(S(=O)(=O)C)cc12 21
110 , 12