4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide

C15H16ClNO3S — CID 8721905

IUPAC4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C15H16ClNO3S/c1-20-15-11-13(7-8-14(15)16)21(18,19)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyVMNFJCPSBHZHNU-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.87
Rot. Bonds6

About 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide

4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 8721905) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID8721905
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C15H16ClNO3S/c1-20-15-11-13(7-8-14(15)16)21(18,19)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyVMNFJCPSBHZHNU-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide (CID 8721905) is 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCCc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is VMNFJCPSBHZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-15-11-13(7-8-14(15)16)21(18,19)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide?
4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 8721905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).