N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride

C18H30ClN3O3S — CID 119965750

IUPACN-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-5-14-20(2)18(22)16-8-6-7-9-17(16)25(23,24)21(3)15-10-12-19-13-11-15;/h6-9,15,19H,4-5,10-14H2,1-3H3;1H
InChIKeyJUQQKXYLBNCIMX-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.35
Rot. Bonds7

About N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride

N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119965750) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride
PubChem CID119965750
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-4-5-14-20(2)18(22)16-8-6-7-9-17(16)25(23,24)21(3)15-10-12-19-13-11-15;/h6-9,15,19H,4-5,10-14H2,1-3H3;1H
InChIKeyJUQQKXYLBNCIMX-UHFFFAOYSA-N
XLogP2.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 120665321
N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 120725952
2-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N-butyl-N-methylbenzamide;hydrochloride
CID 119992074
2-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-butyl-N-methylbenzamide;hydrochloride
CID 119971953
N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 120715260
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976798
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
CID 119972472
N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824520
2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
CID 43613846
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride (CID 119965750) is N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride is CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N(C)C1CCNCC1.Cl.
What is the InChIKey of N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is JUQQKXYLBNCIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-4-5-14-20(2)18(22)16-8-6-7-9-17(16)25(23,24)21(3)15-10-12-19-13-11-15;/h6-9,15,19H,4-5,10-14H2,1-3H3;1H.
What are the key properties of N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride?
N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[methyl(piperidin-4-yl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119965750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).