2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide

C22H27ClN2O5S2 — CID 43016627

IUPAC2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCCCC3)c2)cc1
InChIInChI=1S/C22H27ClN2O5S2/c1-31(27,28)18-11-9-17(10-12-18)25-32(29,30)19-13-14-21(23)20(15-19)22(26)24-16-7-5-3-2-4-6-8-16/h9-16,25H,2-8H2,1H3,(H,24,26)
InChIKeyWDAIBNDMBXJMKI-UHFFFAOYSA-N
MW499.05 g/mol
LogP4.39
Rot. Bonds6

About 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide

2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide (PubChem CID 43016627) has the molecular formula C22H27ClN2O5S2 and a molecular weight of 499.05 g/mol. Its IUPAC name is 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
PubChem CID43016627
Molecular FormulaC22H27ClN2O5S2
Molecular Weight499.05 g/mol
Exact Mass498.10
IUPAC Name2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCCCC3)c2)cc1
InChIInChI=1S/C22H27ClN2O5S2/c1-31(27,28)18-11-9-17(10-12-18)25-32(29,30)19-13-14-21(23)20(15-19)22(26)24-16-7-5-3-2-4-6-8-16/h9-16,25H,2-8H2,1H3,(H,24,26)
InChIKeyWDAIBNDMBXJMKI-UHFFFAOYSA-N
XLogP4.39
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.05
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
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2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
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5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
[2-(cyclopentylamino)-2-oxoethyl] 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
CID 2366758
2-chloro-N-cyclohexyl-5-[methyl(methylsulfonyl)amino]benzamide
CID 53278340
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CID 17188470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide (CID 43016627) is 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide is CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCCCC3)c2)cc1.
What is the InChIKey of 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide?
The InChIKey is WDAIBNDMBXJMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5S2/c1-31(27,28)18-11-9-17(10-12-18)25-32(29,30)19-13-14-21(23)20(15-19)22(26)24-16-7-5-3-2-4-6-8-16/h9-16,25H,2-8H2,1H3,(H,24,26).
What are the key properties of 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide?
2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide has a molecular weight of 499.05 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 43016627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).