4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide

C19H13ClFNO3S — CID 1375859

IUPAC4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13ClFNO3S/c20-15-5-11-18(12-6-15)26(24,25)22-17-9-3-14(4-10-17)19(23)13-1-7-16(21)8-2-13/h1-12,22H
InChIKeyVFOUBXDUUUGJSK-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.51
Rot. Bonds5

About 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide

4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide (PubChem CID 1375859) has the molecular formula C19H13ClFNO3S and a molecular weight of 389.84 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
PubChem CID1375859
Molecular FormulaC19H13ClFNO3S
Molecular Weight389.84 g/mol
Exact Mass389.03
IUPAC Name4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13ClFNO3S/c20-15-5-11-18(12-6-15)26(24,25)22-17-9-3-14(4-10-17)19(23)13-1-7-16(21)8-2-13/h1-12,22H
InChIKeyVFOUBXDUUUGJSK-UHFFFAOYSA-N
XLogP4.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide
CID 4737379
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide (CID 1375859) is 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide is O=C(c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide?
The InChIKey is VFOUBXDUUUGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO3S/c20-15-5-11-18(12-6-15)26(24,25)22-17-9-3-14(4-10-17)19(23)13-1-7-16(21)8-2-13/h1-12,22H.
What are the key properties of 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide?
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide has a molecular weight of 389.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1375859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).