4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride

C16H26ClN3O3S — CID 119428182

IUPAC4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-12(2)19-23(21,22)15-8-6-13(7-9-15)16(20)18-14-5-4-10-17-11-14;/h6-9,12,14,17,19H,3-5,10-11H2,1-2H3,(H,18,20);1H
InChIKeySEDGJCHRXLXJMM-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.67
Rot. Bonds6

About 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride

4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119428182) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119428182
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC Name4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-12(2)19-23(21,22)15-8-6-13(7-9-15)16(20)18-14-5-4-10-17-11-14;/h6-9,12,14,17,19H,3-5,10-11H2,1-2H3,(H,18,20);1H
InChIKeySEDGJCHRXLXJMM-UHFFFAOYSA-N
XLogP1.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
CID 39032121
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119478111
4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426827
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide
CID 119428774
4-[(2-fluorophenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119428717
4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700441
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
N-piperidin-3-ylbenzamide
CID 22017045

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride (CID 119428182) is 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride is CCC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is SEDGJCHRXLXJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-3-12(2)19-23(21,22)15-8-6-13(7-9-15)16(20)18-14-5-4-10-17-11-14;/h6-9,12,14,17,19H,3-5,10-11H2,1-2H3,(H,18,20);1H.
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride?
4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119428182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).