N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide

C14H14ClNO3S — CID 6468600

IUPACN-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-19-14-8-7-12(9-13(14)15)16-20(17,18)10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyJASTZNHOUQFCJH-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.29
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide

N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide (PubChem CID 6468600) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
PubChem CID6468600
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-19-14-8-7-12(9-13(14)15)16-20(17,18)10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyJASTZNHOUQFCJH-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide 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

N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 110777323
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
CID 135348470
N-(3-amino-4-methoxyphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43604676
N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
methyl 4-(benzylsulfonylamino)benzoate
CID 743645

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide (CID 6468600) is N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide is COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide?
The InChIKey is JASTZNHOUQFCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-19-14-8-7-12(9-13(14)15)16-20(17,18)10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide?
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 6468600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).