N-(4-chlorophenyl)-4-methoxybenzenesulfonamide

C13H12ClNO3S — CID 598671

IUPACN-(4-chlorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO3S/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
InChIKeyUGWMDSAJIPMLMY-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.15
Rot. Bonds4

About N-(4-chlorophenyl)-4-methoxybenzenesulfonamide

N-(4-chlorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 598671) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methoxybenzenesulfonamide
PubChem CID598671
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC NameN-(4-chlorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO3S/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
InChIKeyUGWMDSAJIPMLMY-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-methoxybenzenesulfonamide (CID 598671) is N-(4-chlorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is UGWMDSAJIPMLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/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-chlorophenyl)-4-methoxybenzenesulfonamide?
N-(4-chlorophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 297.76 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 598671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).