N-(4-fluorophenyl)-4-methoxybenzenesulfonamide

C13H12FNO3S — CID 767657

IUPACN-(4-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNO3S/c1-18-12-6-8-13(9-7-12)19(16,17)15-11-4-2-10(14)3-5-11/h2-9,15H,1H3
InChIKeyXZUZKXYWAFPZHW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.64
Rot. Bonds4

About N-(4-fluorophenyl)-4-methoxybenzenesulfonamide

N-(4-fluorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 767657) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methoxybenzenesulfonamide
PubChem CID767657
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC NameN-(4-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNO3S/c1-18-12-6-8-13(9-7-12)19(16,17)15-11-4-2-10(14)3-5-11/h2-9,15H,1H3
InChIKeyXZUZKXYWAFPZHW-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-methoxybenzenesulfonamide (CID 767657) is N-(4-fluorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is XZUZKXYWAFPZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c1-18-12-6-8-13(9-7-12)19(16,17)15-11-4-2-10(14)3-5-11/h2-9,15H,1H3.
What are the key properties of N-(4-fluorophenyl)-4-methoxybenzenesulfonamide?
N-(4-fluorophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 767657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).