4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide

C20H23ClN2O3S — CID 11327244

IUPAC4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23ClN2O3S/c21-17-10-12-18(13-11-17)23-20(24)16-8-6-15(7-9-16)14-22-27(25,26)19-4-2-1-3-5-19/h1-5,10-13,15-16,22H,6-9,14H2,(H,23,24)
InChIKeyDIXLLKUPJWJVRE-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.06
Rot. Bonds6

About 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide (PubChem CID 11327244) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
PubChem CID11327244
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23ClN2O3S/c21-17-10-12-18(13-11-17)23-20(24)16-8-6-15(7-9-16)14-22-27(25,26)19-4-2-1-3-5-19/h1-5,10-13,15-16,22H,6-9,14H2,(H,23,24)
InChIKeyDIXLLKUPJWJVRE-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 119287751
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 20862326
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide
CID 5323384
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649627
4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 73402238
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124650011
N-[4-(benzylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 2987452
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 119287765
4-(benzenesulfonamidomethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 6624440
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide (CID 11327244) is 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide?
The InChIKey is DIXLLKUPJWJVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-17-10-12-18(13-11-17)23-20(24)16-8-6-15(7-9-16)14-22-27(25,26)19-4-2-1-3-5-19/h1-5,10-13,15-16,22H,6-9,14H2,(H,23,24).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11327244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).