4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide

C17H23ClN2O3S — CID 100786498

IUPAC4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1cc(C(=O)NCCC2=CCCCC2)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H23ClN2O3S/c1-20(24(2,22)23)16-12-14(8-9-15(16)18)17(21)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,19,21)
InChIKeyWPNWPEDTAASBOC-UHFFFAOYSA-N
MW370.90 g/mol
LogP3.36
Rot. Bonds6

About 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide

4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 100786498) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
PubChem CID100786498
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1cc(C(=O)NCCC2=CCCCC2)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H23ClN2O3S/c1-20(24(2,22)23)16-12-14(8-9-15(16)18)17(21)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,19,21)
InChIKeyWPNWPEDTAASBOC-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]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

N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577
N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001011
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664163
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
CID 100786729
4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 100786469
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]-4-fluorobenzamide
CID 113065900

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide (CID 100786498) is 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide is CN(c1cc(C(=O)NCCC2=CCCCC2)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is WPNWPEDTAASBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c1-20(24(2,22)23)16-12-14(8-9-15(16)18)17(21)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide?
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 370.90 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 100786498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).