4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide

C18H13ClFNO2S — CID 10784838

IUPAC4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H13ClFNO2S/c19-17-11-13(7-10-18(17)20)16-4-2-1-3-15(16)12-5-8-14(9-6-12)24(21,22)23/h1-11H,(H2,21,22,23)
InChIKeyBRWDKJBTMKFKLU-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.46
Rot. Bonds3

About 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide

4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide (PubChem CID 10784838) has the molecular formula C18H13ClFNO2S and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide
PubChem CID10784838
Molecular FormulaC18H13ClFNO2S
Molecular Weight361.83 g/mol
Exact Mass361.03
IUPAC Name4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H13ClFNO2S/c19-17-11-13(7-10-18(17)20)16-4-2-1-3-15(16)12-5-8-14(9-6-12)24(21,22)23/h1-11H,(H2,21,22,23)
InChIKeyBRWDKJBTMKFKLU-UHFFFAOYSA-N
XLogP4.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-Chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 9906472
4-[2-(4-Chloro-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10268555
4-[2-(4-Chlorophenyl)phenyl]benzenesulfonamide
CID 10545354
4-[4,5-Difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 10666170
4-[2-(4-Fluorophenyl)phenyl]benzenesulfonamide
CID 10782440
1-(3-Chloro-4-fluorophenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
CID 10786954
4-[2-(3-Chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10046378
4-[4,5-Difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide
CID 10316629
1-(3-Chloro-4-methylphenyl)-4,5-difluoro-2-[4-(methylsulfonyl)phenyl]benzene
CID 10524587
4-[4,5-Difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
CID 10571627
4-[2-(3-Chloro-4-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10644309
4-[6-(3-Chloro-4-fluoro-phenyl)-spiro[2.4]hept-5-en-5-yl]-benzenesulfonamide
CID 10667341

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide (CID 10784838) is 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide?
The InChIKey is BRWDKJBTMKFKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2S/c19-17-11-13(7-10-18(17)20)16-4-2-1-3-15(16)12-5-8-14(9-6-12)24(21,22)23/h1-11H,(H2,21,22,23).
What are the key properties of 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide?
4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide has a molecular weight of 361.83 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-fluorophenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10784838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).