3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide

C17H18ClNO5S — CID 110357946

IUPAC3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H18ClNO5S/c1-23-15-7-6-14(11-16(15)24-2)25(21,22)9-8-19-17(20)12-4-3-5-13(18)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyWXUFJLXRCSWYRP-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.56
Rot. Bonds7

About 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide

3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide (PubChem CID 110357946) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
PubChem CID110357946
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H18ClNO5S/c1-23-15-7-6-14(11-16(15)24-2)25(21,22)9-8-19-17(20)12-4-3-5-13(18)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyWXUFJLXRCSWYRP-UHFFFAOYSA-N
XLogP2.56
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide 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

2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
CID 110357937
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015
phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate
CID 110357956
3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108571401
(E)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110410836
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
CID 110356474
N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
CID 4983601
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide (CID 110357946) is 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide is COc1ccc(S(=O)(=O)CCNC(=O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide?
The InChIKey is WXUFJLXRCSWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-23-15-7-6-14(11-16(15)24-2)25(21,22)9-8-19-17(20)12-4-3-5-13(18)10-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide?
3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide has a molecular weight of 383.85 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide is sourced from PubChem (CID 110357946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).