2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide

C22H27ClN2O3S2 — CID 126029711

IUPAC2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCSC1CCCCC1
InChIInChI=1S/C22H27ClN2O3S2/c23-18-8-7-9-19(16-18)25(30(27,28)21-12-5-2-6-13-21)17-22(26)24-14-15-29-20-10-3-1-4-11-20/h2,5-9,12-13,16,20H,1,3-4,10-11,14-15,17H2,(H,24,26)
InChIKeyLTORJOIQZKUCOQ-UHFFFAOYSA-N
MW467.06 g/mol
LogP4.72
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide (PubChem CID 126029711) has the molecular formula C22H27ClN2O3S2 and a molecular weight of 467.06 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
PubChem CID126029711
Molecular FormulaC22H27ClN2O3S2
Molecular Weight467.06 g/mol
Exact Mass466.12
IUPAC Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCSC1CCCCC1
InChIInChI=1S/C22H27ClN2O3S2/c23-18-8-7-9-19(16-18)25(30(27,28)21-12-5-2-6-13-21)17-22(26)24-14-15-29-20-10-3-1-4-11-20/h2,5-9,12-13,16,20H,1,3-4,10-11,14-15,17H2,(H,24,26)
InChIKeyLTORJOIQZKUCOQ-UHFFFAOYSA-N
XLogP4.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.06
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide 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-[N-(benzenesulfonyl)-3-chloroanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30200870
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30202134
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30252112
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
CID 3138284
2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 100712934
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2267149
N-(2-cyclohexylsulfanylethyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetamide
CID 30267049
N-(2-cyclohexylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 126032115
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 23932028
2-(3-chloro-N-methylsulfonylanilino)-N-(2-cyclopentylsulfanylethyl)butanamide
CID 133199188
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30213850
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30205047

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide (CID 126029711) is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide is O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCSC1CCCCC1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide?
The InChIKey is LTORJOIQZKUCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S2/c23-18-8-7-9-19(16-18)25(30(27,28)21-12-5-2-6-13-21)17-22(26)24-14-15-29-20-10-3-1-4-11-20/h2,5-9,12-13,16,20H,1,3-4,10-11,14-15,17H2,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide has a molecular weight of 467.06 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide is sourced from PubChem (CID 126029711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).