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

C14H13ClFNO2S — CID 32673670

IUPAC2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H13ClFNO2S/c1-9-3-6-14(12(15)7-9)20(18,19)17-11-5-4-10(2)13(16)8-11/h3-8,17H,1-2H3
InChIKeySDXNCHNGRZFJCK-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.90
Rot. Bonds3

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

2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 32673670) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID32673670
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H13ClFNO2S/c1-9-3-6-14(12(15)7-9)20(18,19)17-11-5-4-10(2)13(16)8-11/h3-8,17H,1-2H3
InChIKeySDXNCHNGRZFJCK-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

N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092136
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide (CID 32673670) is 2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is SDXNCHNGRZFJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-9-3-6-14(12(15)7-9)20(18,19)17-11-5-4-10(2)13(16)8-11/h3-8,17H,1-2H3.
What are the key properties of 2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
2-chloro-N-(3-fluoro-4-methylphenyl)-4-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 2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 32673670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).