5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide

C21H25ClN2O3S2 — CID 38014027

IUPAC5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide
SMILESO=C(NCCSC1CCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H25ClN2O3S2/c22-20-12-11-16(24-29(26,27)18-9-5-2-6-10-18)15-19(20)21(25)23-13-14-28-17-7-3-1-4-8-17/h2,5-6,9-12,15,17,24H,1,3-4,7-8,13-14H2,(H,23,25)
InChIKeyOPRGEXIXDWKXDV-UHFFFAOYSA-N
MW453.03 g/mol
LogP4.94
Rot. Bonds8

About 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide

5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide (PubChem CID 38014027) has the molecular formula C21H25ClN2O3S2 and a molecular weight of 453.03 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide
PubChem CID38014027
Molecular FormulaC21H25ClN2O3S2
Molecular Weight453.03 g/mol
Exact Mass452.10
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide
SMILESO=C(NCCSC1CCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H25ClN2O3S2/c22-20-12-11-16(24-29(26,27)18-9-5-2-6-10-18)15-19(20)21(25)23-13-14-28-17-7-3-1-4-8-17/h2,5-6,9-12,15,17,24H,1,3-4,7-8,13-14H2,(H,23,25)
InChIKeyOPRGEXIXDWKXDV-UHFFFAOYSA-N
XLogP4.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.03
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide
CID 30400846
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529
2-chloro-N-(2-cyclopentylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 32542151
4-chloro-N-(2-cyclopentylsulfanylethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 100578773
2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide
CID 94101556
N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3920439
4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 46762901
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565
2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 100712934
N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
CID 32541665
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126029711

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide (CID 38014027) is 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide is O=C(NCCSC1CCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide?
The InChIKey is OPRGEXIXDWKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S2/c22-20-12-11-16(24-29(26,27)18-9-5-2-6-10-18)15-19(20)21(25)23-13-14-28-17-7-3-1-4-8-17/h2,5-6,9-12,15,17,24H,1,3-4,7-8,13-14H2,(H,23,25).
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide?
5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide has a molecular weight of 453.03 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide is sourced from PubChem (CID 38014027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).