3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide

C13H10ClF2NO2S — CID 47309744

IUPAC3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C13H10ClF2NO2S/c1-8-2-3-12(7-13(8)14)20(18,19)17-11-5-9(15)4-10(16)6-11/h2-7,17H,1H3
InChIKeyDXYJNSXMZIGRBF-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.73
Rot. Bonds3

About 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide

3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 47309744) has the molecular formula C13H10ClF2NO2S and a molecular weight of 317.74 g/mol. Its IUPAC name is 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
PubChem CID47309744
Molecular FormulaC13H10ClF2NO2S
Molecular Weight317.74 g/mol
Exact Mass317.01
IUPAC Name3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C13H10ClF2NO2S/c1-8-2-3-12(7-13(8)14)20(18,19)17-11-5-9(15)4-10(16)6-11/h2-7,17H,1H3
InChIKeyDXYJNSXMZIGRBF-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 106070501
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389543
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 8538684
N-(3-chloro-4-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 126416212

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide (CID 47309744) is 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is DXYJNSXMZIGRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2S/c1-8-2-3-12(7-13(8)14)20(18,19)17-11-5-9(15)4-10(16)6-11/h2-7,17H,1H3.
What are the key properties of 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide?
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 317.74 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 47309744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).