N-(4-fluorophenyl)-4-methylbenzenesulfonamide

C13H12FNO2S — CID 853960

IUPACN-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3
InChIKeyFVZXDKXFEPVJRE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.93
Rot. Bonds3

About N-(4-fluorophenyl)-4-methylbenzenesulfonamide

N-(4-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 853960) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID853960
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC NameN-(4-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3
InChIKeyFVZXDKXFEPVJRE-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-methylbenzenesulfonamide (CID 853960) is N-(4-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is FVZXDKXFEPVJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3.
What are the key properties of N-(4-fluorophenyl)-4-methylbenzenesulfonamide?
N-(4-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 265.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 853960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).