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

C19H25ClN4O3S — CID 6621992

IUPACN-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c(Cl)c1
InChIInChI=1S/C19H25ClN4O3S/c1-12-5-6-17(16(20)11-12)21-19(25)15-7-9-24(10-8-15)28(26,27)18-13(2)22-23(4)14(18)3/h5-6,11,15H,7-10H2,1-4H3,(H,21,25)
InChIKeySSVAWIKDOKHRME-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.04
Rot. Bonds4

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

N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 6621992) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID6621992
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC NameN-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c(Cl)c1
InChIInChI=1S/C19H25ClN4O3S/c1-12-5-6-17(16(20)11-12)21-19(25)15-7-9-24(10-8-15)28(26,27)18-13(2)22-23(4)14(18)3/h5-6,11,15H,7-10H2,1-4H3,(H,21,25)
InChIKeySSVAWIKDOKHRME-UHFFFAOYSA-N
XLogP3.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 6621992) is N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SSVAWIKDOKHRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3S/c1-12-5-6-17(16(20)11-12)21-19(25)15-7-9-24(10-8-15)28(26,27)18-13(2)22-23(4)14(18)3/h5-6,11,15H,7-10H2,1-4H3,(H,21,25).
What are the key properties of N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 424.95 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6621992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).