4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide

C15H16ClNO3S — CID 50876121

IUPAC4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)15-9-8-13(16)10-14(15)20-2/h3-11,17H,1-2H3
InChIKeyLZYNFDJPFMXKJK-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.39
Rot. Bonds5

About 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide

4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 50876121) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
PubChem CID50876121
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H16ClNO3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)15-9-8-13(16)10-14(15)20-2/h3-11,17H,1-2H3
InChIKeyLZYNFDJPFMXKJK-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-methoxy-N-(1-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

Related Compounds

4-chloro-2,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 991853
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
2-methoxy-4-nitro-N-(1-phenylethyl)benzenesulfonamide
CID 42960706
4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 935410
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 43244846
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830
3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 55544609
4-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943283
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide (CID 50876121) is 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)NC(C)c1ccccc1.
What is the InChIKey of 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is LZYNFDJPFMXKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)15-9-8-13(16)10-14(15)20-2/h3-11,17H,1-2H3.
What are the key properties of 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide?
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 50876121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).