N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide

C14H13ClFNO2S — CID 1256135

IUPACN-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1F
InChIInChI=1S/C14H13ClFNO2S/c1-9-8-11(6-7-13(9)16)20(18,19)17-14-5-3-4-12(15)10(14)2/h3-8,17H,1-2H3
InChIKeyKUMBVCYYBDQQCD-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.90
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide

N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 1256135) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID1256135
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC NameN-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1F
InChIInChI=1S/C14H13ClFNO2S/c1-9-8-11(6-7-13(9)16)20(18,19)17-14-5-3-4-12(15)10(14)2/h3-8,17H,1-2H3
InChIKeyKUMBVCYYBDQQCD-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 6456762
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methyl-4-nitrobenzenesulfonamide
CID 175722759
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734172

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide (CID 1256135) is N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is KUMBVCYYBDQQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-9-8-11(6-7-13(9)16)20(18,19)17-14-5-3-4-12(15)10(14)2/h3-8,17H,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide?
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 1256135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).