Responsive image

Common name

N-[(dihydroxy-λ3-sulfanyl)methyl]aniline

IUPAC name

N-[(dihydroxy-λ3-sulfanyl)methyl]aniline

SMILES

C(Nc1ccccc1)[S](O)O

Common name

N-[(dihydroxy-λ3-sulfanyl)methyl]aniline

IUPAC name

N-[(dihydroxy-λ3-sulfanyl)methyl]aniline

SMILES

C(Nc1ccccc1)[S](O)O

INCHI

InChI=1S/C7H10NO2S/c9-11(10)6-8-7-4-2-1-3-5-7/h1-5,8-10H,6H2

FORMULA

C7H10NO2S

Responsive image

Common name

N-[(dihydroxy-λ3-sulfanyl)methyl]aniline

IUPAC name

N-[(dihydroxy-λ3-sulfanyl)methyl]aniline





Molecular weight

172.225

clogP

-1.078

clogS

-1.056

Frequency

0.0003





HBond Acceptor

2

HBond Donor

3

Total Polar
Surface Area

52.49

Number of Rings

1

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
4k3h_ligand_1_3.mol2 4k3h 0.548387 -7.00 c1ccc(cc1)N(C)C 9
3fui_ligand_2_12.mol2 3fui 0.548387 -6.99 c1ccc(cc1)NC 8
4k3h_ligand_1_4.mol2 4k3h 0.548387 -6.96 c1ccc(cc1)N(C)C 9
3ftw_ligand_2_1.mol2 3ftw 0.548387 -6.93 c1ccccc1NC 8
3ftv_ligand_2_1.mol2 3ftv 0.548387 -6.92 c1ccccc1NC 8
2hz0_ligand_2_25.mol2 2hz0 0.548387 -6.89 CNc1ccccc1 8
5ew3_ligand_2_12.mol2 5ew3 0.548387 -6.83 c1ccc(cc1)NC 8
3hng_ligand_2_7.mol2 3hng 0.548387 -6.82 c1c(cccc1)NC 8
4kmz_ligand_2_6.mol2 4kmz 0.548387 -6.72 N(c1ccccc1)C 8
120 , 13