N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide

C20H18ClNO3S — CID 46021774

IUPACN-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClNO3S/c1-25-19-9-5-8-18(14-19)22(15-16-6-3-2-4-7-16)26(23,24)20-12-10-17(21)11-13-20/h2-14H,15H2,1H3
InChIKeyQLMAWPYFLYJNAU-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.74
Rot. Bonds6

About N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide

N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 46021774) has the molecular formula C20H18ClNO3S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID46021774
Molecular FormulaC20H18ClNO3S
Molecular Weight387.89 g/mol
Exact Mass387.07
IUPAC NameN-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClNO3S/c1-25-19-9-5-8-18(14-19)22(15-16-6-3-2-4-7-16)26(23,24)20-12-10-17(21)11-13-20/h2-14H,15H2,1H3
InChIKeyQLMAWPYFLYJNAU-UHFFFAOYSA-N
XLogP4.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-chloro-N-(3-methoxyphenyl)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

N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-benzyl-N-(3-bromophenyl)-4-chlorobenzenesulfonamide
CID 46021781
N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
N-(1,3-benzodioxol-5-yl)-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022171
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
4-(N-(4-chlorophenyl)sulfonyl-3-methoxyanilino)butanoic acid
CID 50891498
N-benzyl-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 1100135
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide (CID 46021774) is N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is QLMAWPYFLYJNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3S/c1-25-19-9-5-8-18(14-19)22(15-16-6-3-2-4-7-16)26(23,24)20-12-10-17(21)11-13-20/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide?
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 46021774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).