N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

C16H26ClN3O3S — CID 120601336

IUPACN-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-11(2)19-23(21,22)15-6-4-5-13(10-15)16(20)18-14-7-8-17-12(3)9-14;/h4-6,10-12,14,17,19H,7-9H2,1-3H3,(H,18,20);1H
InChIKeyLCXKMGRWQHYVCZ-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.67
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride

N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 120601336) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
PubChem CID120601336
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-11(2)19-23(21,22)15-6-4-5-13(10-15)16(20)18-14-7-8-17-12(3)9-14;/h4-6,10-12,14,17,19H,7-9H2,1-3H3,(H,18,20);1H
InChIKeyLCXKMGRWQHYVCZ-UHFFFAOYSA-N
XLogP1.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119458558
N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120598211
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120598273
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 120602047
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602559

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride (CID 120601336) is N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is CC(C)NS(=O)(=O)c1cccc(C(=O)NC2CCNC(C)C2)c1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is LCXKMGRWQHYVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-11(2)19-23(21,22)15-6-4-5-13(10-15)16(20)18-14-7-8-17-12(3)9-14;/h4-6,10-12,14,17,19H,7-9H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 120601336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).