N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide

C24H28N4O4S — CID 25358875

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H28N4O4S/c1-17-9-7-8-16-27(17)23(29)19-12-14-21(15-13-19)33(31,32)25-22-18(2)26(3)28(24(22)30)20-10-5-4-6-11-20/h4-6,10-15,17,25H,7-9,16H2,1-3H3/t17-/m0/s1
InChIKeyTYURJPZMBZWFED-KRWDZBQOSA-N
MW468.58 g/mol
LogP3.30
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide (PubChem CID 25358875) 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)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
PubChem CID25358875
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H28N4O4S/c1-17-9-7-8-16-27(17)23(29)19-12-14-21(15-13-19)33(31,32)25-22-18(2)26(3)28(24(22)30)20-10-5-4-6-11-20/h4-6,10-15,17,25H,7-9,16H2,1-3H3/t17-/m0/s1
InChIKeyTYURJPZMBZWFED-KRWDZBQOSA-N
XLogP3.30
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 42910837
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-phenylbenzamide
CID 24643280
N-(2-chlorophenyl)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
CID 26574997
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 30683562
2-carboxy-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]phenolate
CID 54703910
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 4235954
3-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]phenyl]propanoic acid
CID 9234643
N-cyclopropyl-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide
CID 27537577
4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 2329120
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9-oxofluorene-2-sulfonamide
CID 3658051

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide (CID 25358875) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is TYURJPZMBZWFED-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17-9-7-8-16-27(17)23(29)19-12-14-21(15-13-19)33(31,32)25-22-18(2)26(3)28(24(22)30)20-10-5-4-6-11-20/h4-6,10-15,17,25H,7-9,16H2,1-3H3/t17-/m0/s1.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 468.58 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 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)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 25358875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).