N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

C18H23ClN4O3S — CID 15990944

IUPACN-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1Cl
InChIInChI=1S/C18H23ClN4O3S/c1-11-6-7-15(9-16(11)19)20-18(24)14-5-4-8-23(10-14)27(25,26)17-12(2)21-22-13(17)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyVSUIRRAZWAOOGG-UHFFFAOYSA-N
MW410.93 g/mol
LogP3.03
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 15990944) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID15990944
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1Cl
InChIInChI=1S/C18H23ClN4O3S/c1-11-6-7-15(9-16(11)19)20-18(24)14-5-4-8-23(10-14)27(25,26)17-12(2)21-22-13(17)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyVSUIRRAZWAOOGG-UHFFFAOYSA-N
XLogP3.03
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 15990944) is N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is VSUIRRAZWAOOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S/c1-11-6-7-15(9-16(11)19)20-18(24)14-5-4-8-23(10-14)27(25,26)17-12(2)21-22-13(17)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 15990944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).