2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide

C19H13ClFNO3S — CID 141249458

IUPAC2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2c(F)cccc2-c2ccccc2)ccc1Cl
InChIInChI=1S/C19H13ClFNO3S/c20-15-10-9-13(11-17(15)26(22,24)25)19(23)18-14(7-4-8-16(18)21)12-5-2-1-3-6-12/h1-11H,(H2,22,24,25)
InChIKeyZMALCODYJXVRAW-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide

2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide (PubChem CID 141249458) has the molecular formula C19H13ClFNO3S and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide
PubChem CID141249458
Molecular FormulaC19H13ClFNO3S
Molecular Weight389.84 g/mol
Exact Mass389.03
IUPAC Name2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2c(F)cccc2-c2ccccc2)ccc1Cl
InChIInChI=1S/C19H13ClFNO3S/c20-15-10-9-13(11-17(15)26(22,24)25)19(23)18-14(7-4-8-16(18)21)12-5-2-1-3-6-12/h1-11H,(H2,22,24,25)
InChIKeyZMALCODYJXVRAW-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-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide
CID 58107485
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
2-(4-chloro-3-sulfamoylbenzoyl)benzamide
CID 12850058
[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568827
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
CID 21316638
2-chloro-5-[4-(3-phenylpropanoyl)benzoyl]benzenesulfonamide;4-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;methane
CID 162149031
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
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-(1-methylindole-2-carbonyl)benzenesulfonamide
CID 21316646
2-chloro-5-(4-phenylbenzoyl)benzenesulfonamide;4-chloro-3-sulfamoylbenzoyl chloride;methane;phenylcyclohexatriene
CID 157195250
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 9105832

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide (CID 141249458) is 2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)c2c(F)cccc2-c2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide?
The InChIKey is ZMALCODYJXVRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO3S/c20-15-10-9-13(11-17(15)26(22,24)25)19(23)18-14(7-4-8-16(18)21)12-5-2-1-3-6-12/h1-11H,(H2,22,24,25).
What are the key properties of 2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide?
2-chloro-5-(2-fluoro-6-phenylbenzoyl)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-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide is sourced from PubChem (CID 141249458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).