3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide

C16H25N3O3S — CID 119388175

IUPAC3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C16H25N3O3S/c1-12(2)19(3)23(21,22)15-6-4-5-13(11-15)16(20)18-14-7-9-17-10-8-14/h4-6,11-12,14,17H,7-10H2,1-3H3,(H,18,20)
InChIKeyZFIKYWNSNZPBJN-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.20
Rot. Bonds5

About 3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide

3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide (PubChem CID 119388175) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
PubChem CID119388175
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C16H25N3O3S/c1-12(2)19(3)23(21,22)15-6-4-5-13(11-15)16(20)18-14-7-9-17-10-8-14/h4-6,11-12,14,17H,7-10H2,1-3H3,(H,18,20)
InChIKeyZFIKYWNSNZPBJN-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924
tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 55986626
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35826280
3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462288
3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77096218
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 126768313
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
[2-(cyclopentylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753771
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide?
The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide (CID 119388175) is 3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CCNCC2)c1.
What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide?
The InChIKey is ZFIKYWNSNZPBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(2)19(3)23(21,22)15-6-4-5-13(11-15)16(20)18-14-7-9-17-10-8-14/h4-6,11-12,14,17H,7-10H2,1-3H3,(H,18,20).
What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide?
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.20, 5 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-4-ylbenzamide is sourced from PubChem (CID 119388175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).