N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide

C19H15ClFNO2S — CID 3719426

IUPACN-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cc2ccccc2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H15ClFNO2S/c20-18-13-17(9-10-19(18)21)25(23,24)22-16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h1-10,12-13,22H,11H2
InChIKeyUCBOIPWRKKAIFV-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.87
Rot. Bonds5

About N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide

N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide (PubChem CID 3719426) has the molecular formula C19H15ClFNO2S and a molecular weight of 375.85 g/mol. Its IUPAC name is N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide
PubChem CID3719426
Molecular FormulaC19H15ClFNO2S
Molecular Weight375.85 g/mol
Exact Mass375.05
IUPAC NameN-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cc2ccccc2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H15ClFNO2S/c20-18-13-17(9-10-19(18)21)25(23,24)22-16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h1-10,12-13,22H,11H2
InChIKeyUCBOIPWRKKAIFV-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891189
3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
CID 7516472

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide (CID 3719426) is N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cccc(Cc2ccccc2)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide?
The InChIKey is UCBOIPWRKKAIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2S/c20-18-13-17(9-10-19(18)21)25(23,24)22-16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h1-10,12-13,22H,11H2.
What are the key properties of N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide?
N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide has a molecular weight of 375.85 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylphenyl)-3-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3719426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).