2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide

C20H23ClN2O3S — CID 17321697

IUPAC2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c21-18-12-6-4-8-15(18)14-27(25,26)23-19-13-7-5-11-17(19)20(24)22-16-9-2-1-3-10-16/h4-8,11-13,16,23H,1-3,9-10,14H2,(H,22,24)
InChIKeyLNWUIWMHSUGLDL-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.34
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide

2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide (PubChem CID 17321697) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide
PubChem CID17321697
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O3S/c21-18-12-6-4-8-15(18)14-27(25,26)23-19-13-7-5-11-17(19)20(24)22-16-9-2-1-3-10-16/h4-8,11-13,16,23H,1-3,9-10,14H2,(H,22,24)
InChIKeyLNWUIWMHSUGLDL-UHFFFAOYSA-N
XLogP4.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17321694
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2-(benzenesulfonamido)-N-cycloheptylbenzamide
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2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide
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CID 114199766
2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 2929125
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
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CID 63107657
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CID 143582754

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide (CID 17321697) is 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide is O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide?
The InChIKey is LNWUIWMHSUGLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-18-12-6-4-8-15(18)14-27(25,26)23-19-13-7-5-11-17(19)20(24)22-16-9-2-1-3-10-16/h4-8,11-13,16,23H,1-3,9-10,14H2,(H,22,24).
What are the key properties of 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide?
2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfonylamino]-N-cyclohexylbenzamide is sourced from PubChem (CID 17321697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).