2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide

C20H23ClN2O3S2 — CID 126508387

IUPAC2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(SCc2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O3S2/c21-17-12-18(27-13-14-7-3-1-4-8-14)16(11-19(17)28(22,25)26)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,25,26)
InChIKeyZUCBUUIASYMKCB-UHFFFAOYSA-N
MW439.00 g/mol
LogP4.34
Rot. Bonds6

About 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide

2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide (PubChem CID 126508387) has the molecular formula C20H23ClN2O3S2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide
PubChem CID126508387
Molecular FormulaC20H23ClN2O3S2
Molecular Weight439.00 g/mol
Exact Mass438.08
IUPAC Name2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(SCc2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O3S2/c21-17-12-18(27-13-14-7-3-1-4-8-14)16(11-19(17)28(22,25)26)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,25,26)
InChIKeyZUCBUUIASYMKCB-UHFFFAOYSA-N
XLogP4.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide 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

4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
CID 126508087
4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
CID 126508406
N-butyl-4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
CID 126508480
Methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
CID 126508837
N-butyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide
CID 126509009
4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide
CID 126509224
3-[(4-Chloro-2-phenylsulfanyl-5-sulfamoyl-benzoyl)amino]propyl acetate
CID 126506968
Methyl 4-[(2-benzylsulfonyl-4-chloro-5-sulfamoylbenzoyl)amino]butanoate
CID 126507285
2-benzylsulfonyl-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
CID 126507400
4-chloro-N-(2-hydroxyethyl)-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126507415
2-benzylsulfanyl-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507531
Methyl 4-[(2-benzylsulfanyl-4-chloro-5-sulfamoylbenzoyl)amino]butanoate
CID 126507693

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide?
The IUPAC name of 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide (CID 126508387) is 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(SCc2ccccc2)cc1Cl.
What is the InChIKey of 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide?
The InChIKey is ZUCBUUIASYMKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S2/c21-17-12-18(27-13-14-7-3-1-4-8-14)16(11-19(17)28(22,25)26)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,25,26).
What are the key properties of 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide?
2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide has a molecular weight of 439.00 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide is sourced from PubChem (CID 126508387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).