N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide

C24H28N4O4S — CID 2335903

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1c(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H28N4O4S/c1-18-22(24(30)28(25(18)2)20-12-6-4-7-13-20)26(3)33(31,32)21-14-10-11-19(17-21)23(29)27-15-8-5-9-16-27/h4,6-7,10-14,17H,5,8-9,15-16H2,1-3H3
InChIKeyCVFLINXOUXIFBZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.94
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 2335903) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID2335903
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1c(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H28N4O4S/c1-18-22(24(30)28(25(18)2)20-12-6-4-7-13-20)26(3)33(31,32)21-14-10-11-19(17-21)23(29)27-15-8-5-9-16-27/h4,6-7,10-14,17H,5,8-9,15-16H2,1-3H3
InChIKeyCVFLINXOUXIFBZ-UHFFFAOYSA-N
XLogP2.94
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoyl]piperidine-4-carboxylate
CID 42908677
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]-N-(4-iodophenyl)benzamide
CID 42908761
3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579440
2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 78785930
(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]sulfonylazanide
CID 2116996
3-(azepane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 35810133
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[3-(2-fluoro-3-methoxyphenyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 166353200
N-tert-butyl-2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 2080635
2-chloro-N-(cyclopropylmethyl)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 30752508
2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetate
CID 6960528
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 2335903) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide is Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is CVFLINXOUXIFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-18-22(24(30)28(25(18)2)20-12-6-4-7-13-20)26(3)33(31,32)21-14-10-11-19(17-21)23(29)27-15-8-5-9-16-27/h4,6-7,10-14,17H,5,8-9,15-16H2,1-3H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 468.58 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2335903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).