N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide

C12H8Cl2FNO2S — CID 711099

IUPACN-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C12H8Cl2FNO2S/c13-11-6-3-9(7-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H
InChIKeySAEORURQKKGSBQ-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.93
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide

N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 711099) has the molecular formula C12H8Cl2FNO2S and a molecular weight of 320.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
PubChem CID711099
Molecular FormulaC12H8Cl2FNO2S
Molecular Weight320.17 g/mol
Exact Mass318.96
IUPAC NameN-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C12H8Cl2FNO2S/c13-11-6-3-9(7-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H
InChIKeySAEORURQKKGSBQ-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 82865494
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629126
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 38011078
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide (CID 711099) is N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is SAEORURQKKGSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO2S/c13-11-6-3-9(7-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H.
What are the key properties of N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide?
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 320.17 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 711099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).