N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide

C14H21N3O3S — CID 120599207

IUPACN-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC2CCNC(C)C2)cc1
InChIInChI=1S/C14H21N3O3S/c1-10-9-12(7-8-16-10)17-14(18)11-3-5-13(6-4-11)21(19,20)15-2/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)
InChIKeyXFIOHODDQPMNGE-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.47
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide

N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide (PubChem CID 120599207) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
PubChem CID120599207
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC2CCNC(C)C2)cc1
InChIInChI=1S/C14H21N3O3S/c1-10-9-12(7-8-16-10)17-14(18)11-3-5-13(6-4-11)21(19,20)15-2/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)
InChIKeyXFIOHODDQPMNGE-UHFFFAOYSA-N
XLogP0.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 120602047
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602559
1-(4-methylphenyl)sulfonyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 120600456
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide (CID 120599207) is N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)NC2CCNC(C)C2)cc1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide?
The InChIKey is XFIOHODDQPMNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-9-12(7-8-16-10)17-14(18)11-3-5-13(6-4-11)21(19,20)15-2/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide?
N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide has a molecular weight of 311.41 g/mol, XLogP of 0.47, 4 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)-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 120599207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).