Responsive image

Common name


amisulbrom

Formula


C13H13BrFN5O4S2

CAS


348635-87-0

IUPAC name


3-[(3-bromo-6-fluoro-2-methyl-1H-indol-1-yl)sulfonyl]-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide

SMILES


Cc1c(c2ccc(cc2n1S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C)F)Br

INCHI


InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3

Physicochemical Properties

Molecular weight:

464.958

Molar refractivity:

101.832

Num. bonds:

28

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

5

Num. oxygen atoms:

4

Num. sulphur atoms :

2

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

9

Num. H-bond donors:

0

Complexity of system:

134.13

Lipophilicity

ALogP:

-0.723

MLogP:

1.46

XLogP:

0.871

Water Solubility

CLogS:

-3.349

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

150.738

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 4

4

Frac. of Rot. bonds:

0.143

AgroPAD

Photostability

Num. arom. bonds:

15

Num. arom. atoms:

14

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

123.92
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

0.64

QEF:

0.137

Gau:

5.56611