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

C19H27ClN2O5S2 — CID 126508892

IUPAC4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(S(=O)(=O)C2CCCCC2)cc1Cl
InChIInChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
InChIKeyDBESSYOOZDFQBR-UHFFFAOYSA-N
MW463.02 g/mol
LogP3.16
Rot. Bonds5

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

4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide (PubChem CID 126508892) has the molecular formula C19H27ClN2O5S2 and a molecular weight of 463.02 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
PubChem CID126508892
Molecular FormulaC19H27ClN2O5S2
Molecular Weight463.02 g/mol
Exact Mass462.10
IUPAC Name4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(S(=O)(=O)C2CCCCC2)cc1Cl
InChIInChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27)
InChIKeyDBESSYOOZDFQBR-UHFFFAOYSA-N
XLogP3.16
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.02
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
N-cyclopentyl-2,4-dimethyl-5-sulfamoylbenzamide
CID 47469038
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
2,4-dichloro-5-cyclohexylsulfonylbenzoic acid
CID 43323448
4-bromo-N-butyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
CID 126508968
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
CID 65374998
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979
2,3,6-trichloro-N-cyclopropyl-5-sulfamoylbenzamide
CID 65375569
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367156
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide (CID 126508892) is 4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(S(=O)(=O)C2CCCCC2)cc1Cl.
What is the InChIKey of 4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide?
The InChIKey is DBESSYOOZDFQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h11-14H,1-10H2,(H,22,23)(H2,21,26,27).
What are the key properties of 4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide?
4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide has a molecular weight of 463.02 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide is sourced from PubChem (CID 126508892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).