1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide

C22H22Cl2N4O3S — CID 47080772

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCc1ccnn1-c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C22H22Cl2N4O3S/c1-15-7-10-25-28(15)19-4-2-3-18(14-19)26-22(29)16-8-11-27(12-9-16)32(30,31)21-13-17(23)5-6-20(21)24/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,26,29)
InChIKeySDTFZQZZDBKQLS-UHFFFAOYSA-N
MW493.42 g/mol
LogP4.53
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 47080772) has the molecular formula C22H22Cl2N4O3S and a molecular weight of 493.42 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID47080772
Molecular FormulaC22H22Cl2N4O3S
Molecular Weight493.42 g/mol
Exact Mass492.08
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCc1ccnn1-c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C22H22Cl2N4O3S/c1-15-7-10-25-28(15)19-4-2-3-18(14-19)26-22(29)16-8-11-27(12-9-16)32(30,31)21-13-17(23)5-6-20(21)24/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,26,29)
InChIKeySDTFZQZZDBKQLS-UHFFFAOYSA-N
XLogP4.53
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131366
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 1303925
1-(2,5-dichlorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 46651843
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 55765789
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 26515800
1-(2,5-dichlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 99141993
N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39213693
N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 2981126
1-(2,5-dichlorophenyl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 55515782

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide (CID 47080772) is 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide is Cc1ccnn1-c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is SDTFZQZZDBKQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3S/c1-15-7-10-25-28(15)19-4-2-3-18(14-19)26-22(29)16-8-11-27(12-9-16)32(30,31)21-13-17(23)5-6-20(21)24/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,26,29).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 493.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-[3-(5-methylpyrazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 47080772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).