2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide

C23H25ClN4O4S — CID 2085005

IUPAC2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H25ClN4O4S/c1-16-21(23(30)28(26(16)2)17-9-5-3-6-10-17)25-22(29)19-15-18(11-12-20(19)24)33(31,32)27-13-7-4-8-14-27/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,25,29)
InChIKeyHZSMIARXJJSOSH-UHFFFAOYSA-N
MW489.00 g/mol
LogP3.56
Rot. Bonds5

About 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2085005) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2085005
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H25ClN4O4S/c1-16-21(23(30)28(26(16)2)17-9-5-3-6-10-17)25-22(29)19-15-18(11-12-20(19)24)33(31,32)27-13-7-4-8-14-27/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,25,29)
InChIKeyHZSMIARXJJSOSH-UHFFFAOYSA-N
XLogP3.56
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 4829934
2,4-dichloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 132191196
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(4-morpholinylsulfonyl)benzamide
CID 1022002
N-(3-chlorophenyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
CID 1216383
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methyl-N~1~-[2-(1-pyrrolidinylcarbonyl)phenyl]glycinamide
CID 1300212
2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1362650
2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2085100
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[(dipropylamino)sulfonyl]benzamide
CID 2311705
1-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 2321919
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2329908

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide (CID 2085005) is 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide is Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HZSMIARXJJSOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-16-21(23(30)28(26(16)2)17-9-5-3-6-10-17)25-22(29)19-15-18(11-12-20(19)24)33(31,32)27-13-7-4-8-14-27/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,25,29).
What are the key properties of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 489.00 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2085005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).