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

C16H26ClN3O3S — CID 120577071

IUPACN-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NC2CCCNC2C)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-11-23(21,22)19-14-8-6-13(7-9-14)16(20)18-15-5-4-10-17-12(15)2;/h6-9,12,15,17,19H,3-5,10-11H2,1-2H3,(H,18,20);1H
InChIKeyVLZMNQMOHNMOOI-UHFFFAOYSA-N
MW375.92 g/mol
LogP2.13
Rot. Bonds6

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

N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride (PubChem CID 120577071) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
PubChem CID120577071
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)NC2CCCNC2C)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-11-23(21,22)19-14-8-6-13(7-9-14)16(20)18-15-5-4-10-17-12(15)2;/h6-9,12,15,17,19H,3-5,10-11H2,1-2H3,(H,18,20);1H
InChIKeyVLZMNQMOHNMOOI-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide
CID 120573277
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 120576871
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574887
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574271

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride (CID 120577071) is N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(C(=O)NC2CCCNC2C)cc1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride?
The InChIKey is VLZMNQMOHNMOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-3-11-23(21,22)19-14-8-6-13(7-9-14)16(20)18-15-5-4-10-17-12(15)2;/h6-9,12,15,17,19H,3-5,10-11H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 120577071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).