N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride

C19H24ClN3O3S — CID 120556844

IUPACN-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-14-13-20-12-11-18(14)21-19(23)15-7-9-17(10-8-15)26(24,25)22-16-5-3-2-4-6-16;/h2-10,14,18,20,22H,11-13H2,1H3,(H,21,23);1H
InChIKeyCGPAPPOWADCGNT-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.64
Rot. Bonds5

About N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride

N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride (PubChem CID 120556844) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
PubChem CID120556844
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-14-13-20-12-11-18(14)21-19(23)15-7-9-17(10-8-15)26(24,25)22-16-5-3-2-4-6-16;/h2-10,14,18,20,22H,11-13H2,1H3,(H,21,23);1H
InChIKeyCGPAPPOWADCGNT-UHFFFAOYSA-N
XLogP2.64
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557218
N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120555623
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557244
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120554339
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220
4-methyl-N-(3-methylpiperidin-4-yl)-3-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120553793
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride (CID 120556844) is N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride?
The InChIKey is CGPAPPOWADCGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c1-14-13-20-12-11-18(14)21-19(23)15-7-9-17(10-8-15)26(24,25)22-16-5-3-2-4-6-16;/h2-10,14,18,20,22H,11-13H2,1H3,(H,21,23);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 120556844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).