1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide

C23H25ClN4O3S — CID 19284740

IUPAC1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C23H25ClN4O3S/c1-17-2-4-18(5-3-17)16-27-13-12-22(26-27)25-23(29)19-10-14-28(15-11-19)32(30,31)21-8-6-20(24)7-9-21/h2-9,12-13,19H,10-11,14-16H2,1H3,(H,25,26,29)
InChIKeyYSKUDTFLAWQFBF-UHFFFAOYSA-N
MW473.00 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 19284740) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
PubChem CID19284740
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C23H25ClN4O3S/c1-17-2-4-18(5-3-17)16-27-13-12-22(26-27)25-23(29)19-10-14-28(15-11-19)32(30,31)21-8-6-20(24)7-9-21/h2-9,12-13,19H,10-11,14-16H2,1H3,(H,25,26,29)
InChIKeyYSKUDTFLAWQFBF-UHFFFAOYSA-N
XLogP3.93
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 19285252
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19285254
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 27234775
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 19411726
3-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 4050906
1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87032919
1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 28572355
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 19405355

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide (CID 19284740) is 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide is Cc1ccc(Cn2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
The InChIKey is YSKUDTFLAWQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-17-2-4-18(5-3-17)16-27-13-12-22(26-27)25-23(29)19-10-14-28(15-11-19)32(30,31)21-8-6-20(24)7-9-21/h2-9,12-13,19H,10-11,14-16H2,1H3,(H,25,26,29).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 473.00 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 19284740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).