3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C17H28ClN3O3S — CID 119462288

IUPAC3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13(2)20(3)24(22,23)16-8-4-7-15(10-16)17(21)19-12-14-6-5-9-18-11-14;/h4,7-8,10,13-14,18H,5-6,9,11-12H2,1-3H3,(H,19,21);1H
InChIKeyNNVJDSJNNBZDOV-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.87
Rot. Bonds6

About 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119462288) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119462288
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13(2)20(3)24(22,23)16-8-4-7-15(10-16)17(21)19-12-14-6-5-9-18-11-14;/h4,7-8,10,13-14,18H,5-6,9,11-12H2,1-3H3,(H,19,21);1H
InChIKeyNNVJDSJNNBZDOV-UHFFFAOYSA-N
XLogP1.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525
N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119463506
3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463606
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462393
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463409
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119461144
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119462288) is 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC2CCCNC2)c1.Cl.
What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is NNVJDSJNNBZDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-13(2)20(3)24(22,23)16-8-4-7-15(10-16)17(21)19-12-14-6-5-9-18-11-14;/h4,7-8,10,13-14,18H,5-6,9,11-12H2,1-3H3,(H,19,21);1H.
What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119462288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).