N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide

C16H20N4O3S — CID 51094154

IUPACN-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H20N4O3S/c1-17-16(21)15-9-5-6-10-20(15)24(22,23)14-11-18-19(12-14)13-7-3-2-4-8-13/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,17,21)
InChIKeyFKWJKFHNOWZZHG-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.16
Rot. Bonds4

About N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide

N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide (PubChem CID 51094154) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide
PubChem CID51094154
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H20N4O3S/c1-17-16(21)15-9-5-6-10-20(15)24(22,23)14-11-18-19(12-14)13-7-3-2-4-8-13/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,17,21)
InChIKeyFKWJKFHNOWZZHG-UHFFFAOYSA-N
XLogP1.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one
CID 166221559
N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991320
[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969606
1-[4-(bromomethyl)phenyl]sulfonyl-N-methylpiperidine-2-carboxamide
CID 65480615
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
CID 61046496
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 47026868
N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide
CID 167955369
(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carbothioamide;(2S)-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 157080497
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide
CID 171136980

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide (CID 51094154) is N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide?
The InChIKey is FKWJKFHNOWZZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-17-16(21)15-9-5-6-10-20(15)24(22,23)14-11-18-19(12-14)13-7-3-2-4-8-13/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,17,21).
What are the key properties of N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide?
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 51094154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).