4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide

C14H13ClFNO2S — CID 17377299

IUPAC4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2)c(C)cc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-9-7-14(10(2)6-13(9)15)20(18,19)17-12-5-3-4-11(16)8-12/h3-8,17H,1-2H3
InChIKeyBFWNVZLPULZMAD-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.90
Rot. Bonds3

About 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 17377299) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID17377299
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2)c(C)cc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-9-7-14(10(2)6-13(9)15)20(18,19)17-12-5-3-4-11(16)8-12/h3-8,17H,1-2H3
InChIKeyBFWNVZLPULZMAD-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-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758953
4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
CID 22773548
4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoic acid
CID 59174218
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106060591
4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 171822694
4-chloro-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635926
2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106060611
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060630
4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79589093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide (CID 17377299) is 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(F)c2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is BFWNVZLPULZMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-9-7-14(10(2)6-13(9)15)20(18,19)17-12-5-3-4-11(16)8-12/h3-8,17H,1-2H3.
What are the key properties of 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide 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 4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 17377299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).