2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide

C19H13ClFNO3S — CID 58107414

IUPAC2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1Cl
InChIInChI=1S/C19H13ClFNO3S/c20-17-10-7-15(11-18(17)26(22,24)25)19(23)14-3-1-12(2-4-14)13-5-8-16(21)9-6-13/h1-11H,(H2,22,24,25)
InChIKeyKYABIQLWDLDFBR-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide

2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide (PubChem CID 58107414) has the molecular formula C19H13ClFNO3S and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
PubChem CID58107414
Molecular FormulaC19H13ClFNO3S
Molecular Weight389.84 g/mol
Exact Mass389.03
IUPAC Name2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1Cl
InChIInChI=1S/C19H13ClFNO3S/c20-17-10-7-15(11-18(17)26(22,24)25)19(23)14-3-1-12(2-4-14)13-5-8-16(21)9-6-13/h1-11H,(H2,22,24,25)
InChIKeyKYABIQLWDLDFBR-UHFFFAOYSA-N
XLogP4.02
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
CID 58107415
2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide
CID 58107394
2-chloro-5-[4-(3,3-dimethylbutanoyl)benzoyl]benzenesulfonamide;4-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;methane;2-methylpropan-2-amine
CID 158135205
2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide
CID 141249458
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742
2-(4-chloro-3-sulfamoylbenzoyl)benzamide
CID 12850058
2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide
CID 58107485
[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568827
5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide
CID 22756393
2-chloro-5-(4-phenylbenzoyl)benzenesulfonamide;4-chloro-3-sulfamoylbenzoyl chloride;methane;phenylcyclohexatriene
CID 157195250
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
2-chloro-5-(1-methylindole-5-carbonyl)benzenesulfonamide
CID 58107434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide (CID 58107414) is 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide?
The InChIKey is KYABIQLWDLDFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO3S/c20-17-10-7-15(11-18(17)26(22,24)25)19(23)14-3-1-12(2-4-14)13-5-8-16(21)9-6-13/h1-11H,(H2,22,24,25).
What are the key properties of 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide?
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide has a molecular weight of 389.84 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide is sourced from PubChem (CID 58107414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).