4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide

C18H13ClFNO2S — CID 1309668

IUPAC4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13ClFNO2S/c19-15-9-5-13(6-10-15)14-7-11-16(12-8-14)24(22,23)21-18-4-2-1-3-17(18)20/h1-12,21H
InChIKeyLYVOBWYPEITUAG-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.95
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide

4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 1309668) has the molecular formula C18H13ClFNO2S and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID1309668
Molecular FormulaC18H13ClFNO2S
Molecular Weight361.83 g/mol
Exact Mass361.03
IUPAC Name4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13ClFNO2S/c19-15-9-5-13(6-10-15)14-7-11-16(12-8-14)24(22,23)21-18-4-2-1-3-17(18)20/h1-12,21H
InChIKeyLYVOBWYPEITUAG-UHFFFAOYSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide (CID 1309668) is 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1F)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is LYVOBWYPEITUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2S/c19-15-9-5-13(6-10-15)14-7-11-16(12-8-14)24(22,23)21-18-4-2-1-3-17(18)20/h1-12,21H.
What are the key properties of 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide?
4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 361.83 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 1309668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).