1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide

C19H25ClN4O3S — CID 19449985

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCn1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H25ClN4O3S/c1-3-23-11-10-17(21-23)14-22(2)19(25)15-8-12-24(13-9-15)28(26,27)18-6-4-16(20)5-7-18/h4-7,10-11,15H,3,8-9,12-14H2,1-2H3
InChIKeyARHJPBKBYWNDTG-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.62
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 19449985) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID19449985
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCn1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H25ClN4O3S/c1-3-23-11-10-17(21-23)14-22(2)19(25)15-8-12-24(13-9-15)28(26,27)18-6-4-16(20)5-7-18/h4-7,10-11,15H,3,8-9,12-14H2,1-2H3
InChIKeyARHJPBKBYWNDTG-UHFFFAOYSA-N
XLogP2.62
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-N-ethylpiperidine-4-carboxamide
CID 134060795
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 36515812
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 71901894
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31288395

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide (CID 19449985) is 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide is CCn1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ARHJPBKBYWNDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3S/c1-3-23-11-10-17(21-23)14-22(2)19(25)15-8-12-24(13-9-15)28(26,27)18-6-4-16(20)5-7-18/h4-7,10-11,15H,3,8-9,12-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 424.95 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 19449985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).