N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C18H24N4O3S — CID 25284326

IUPACN-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3C)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-4-6-16(7-5-13)26(24,25)22-10-8-15(9-11-22)18(23)19-17-12-14(2)20-21(17)3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)
InChIKeyDBGSHHMTRDQQRC-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.08
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 25284326) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID25284326
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3C)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-4-6-16(7-5-13)26(24,25)22-10-8-15(9-11-22)18(23)19-17-12-14(2)20-21(17)3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)
InChIKeyDBGSHHMTRDQQRC-UHFFFAOYSA-N
XLogP2.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 25284326) is N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3C)CC2)cc1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DBGSHHMTRDQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-4-6-16(7-5-13)26(24,25)22-10-8-15(9-11-22)18(23)19-17-12-14(2)20-21(17)3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25284326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).