3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C20H32ClN3O3S — CID 119442993

IUPAC3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C1CCNCC1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-22(17-11-13-21-14-12-17)20(24)16-7-6-10-19(15-16)27(25,26)23(2)18-8-4-3-5-9-18;/h6-7,10,15,17-18,21H,3-5,8-9,11-14H2,1-2H3;1H
InChIKeyJJQMQQMKNMPTPL-UHFFFAOYSA-N
MW430.01 g/mol
LogP2.89
Rot. Bonds5

About 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119442993) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119442993
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C1CCNCC1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-22(17-11-13-21-14-12-17)20(24)16-7-6-10-19(15-16)27(25,26)23(2)18-8-4-3-5-9-18;/h6-7,10,15,17-18,21H,3-5,8-9,11-14H2,1-2H3;1H
InChIKeyJJQMQQMKNMPTPL-UHFFFAOYSA-N
XLogP2.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 110823497
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
N-cyclohexyl-3-(1,4-diazepane-1-carbonyl)-N-methylbenzenesulfonamide
CID 119416583
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943251
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]-ethylamino]propanoic acid
CID 120685984
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
3-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 27670732
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119442993) is 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C1CCNCC1.Cl.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is JJQMQQMKNMPTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-22(17-11-13-21-14-12-17)20(24)16-7-6-10-19(15-16)27(25,26)23(2)18-8-4-3-5-9-18;/h6-7,10,15,17-18,21H,3-5,8-9,11-14H2,1-2H3;1H.
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119442993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).