N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide

C20H23ClN2O5S2 — CID 126508608

IUPACN-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(S(=O)(=O)C2CCCCC2)cc1Cl
InChIInChI=1S/C20H23ClN2O5S2/c21-17-12-18(29(25,26)15-9-5-2-6-10-15)16(11-19(17)30(22,27)28)20(24)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,27,28)
InChIKeyICDSIUVYLWJHJY-UHFFFAOYSA-N
MW471.00 g/mol
LogP3.02
Rot. Bonds6

About N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide

N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide (PubChem CID 126508608) has the molecular formula C20H23ClN2O5S2 and a molecular weight of 471.00 g/mol. Its IUPAC name is N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
PubChem CID126508608
Molecular FormulaC20H23ClN2O5S2
Molecular Weight471.00 g/mol
Exact Mass470.07
IUPAC NameN-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(S(=O)(=O)C2CCCCC2)cc1Cl
InChIInChI=1S/C20H23ClN2O5S2/c21-17-12-18(29(25,26)15-9-5-2-6-10-15)16(11-19(17)30(22,27)28)20(24)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,27,28)
InChIKeyICDSIUVYLWJHJY-UHFFFAOYSA-N
XLogP3.02
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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 N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide?
The IUPAC name of N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide (CID 126508608) is N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide?
The canonical SMILES for N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(S(=O)(=O)C2CCCCC2)cc1Cl.
What is the InChIKey of N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide?
The InChIKey is ICDSIUVYLWJHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S2/c21-17-12-18(29(25,26)15-9-5-2-6-10-15)16(11-19(17)30(22,27)28)20(24)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,27,28).
What are the key properties of N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide?
N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide has a molecular weight of 471.00 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide is sourced from PubChem (CID 126508608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).