4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide

C20H23ClN2O3S — CID 45273834

IUPAC4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-17-5-4-8-19(13-17)27(25,26)22-14-15-9-11-16(12-10-15)20(24)23-18-6-2-1-3-7-18/h4-5,8-13,18,22H,1-3,6-7,14H2,(H,23,24)
InChIKeyQDKLFGYXUROLBM-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.88
Rot. Bonds6

About 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide

4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide (PubChem CID 45273834) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
PubChem CID45273834
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-17-5-4-8-19(13-17)27(25,26)22-14-15-9-11-16(12-10-15)20(24)23-18-6-2-1-3-7-18/h4-5,8-13,18,22H,1-3,6-7,14H2,(H,23,24)
InChIKeyQDKLFGYXUROLBM-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2213121
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
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3-[(3-chlorophenyl)sulfamoyl]-N-cyclohexylbenzamide
CID 9043246
3-[2-(3-chlorophenyl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109062317
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
CID 110957505
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9214466
N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
CID 72855243

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide?
The IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide (CID 45273834) is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide?
The canonical SMILES for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide is O=C(NC1CCCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide?
The InChIKey is QDKLFGYXUROLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-17-5-4-8-19(13-17)27(25,26)22-14-15-9-11-16(12-10-15)20(24)23-18-6-2-1-3-7-18/h4-5,8-13,18,22H,1-3,6-7,14H2,(H,23,24).
What are the key properties of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide?
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 45273834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).