N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

C24H22N4O3S — CID 57394598

IUPACN-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NCc3ccccc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3S/c1-18-12-14-21(15-13-18)32(30,31)27-23-22(17-26-28(23)20-10-6-3-7-11-20)24(29)25-16-19-8-4-2-5-9-19/h2-15,17,27H,16H2,1H3,(H,25,29)
InChIKeySRQAUOYUAKGJIN-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.91
Rot. Bonds7

About N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (PubChem CID 57394598) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
PubChem CID57394598
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NCc3ccccc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3S/c1-18-12-14-21(15-13-18)32(30,31)27-23-22(17-26-28(23)20-10-6-3-7-11-20)24(29)25-16-19-8-4-2-5-9-19/h2-15,17,27H,16H2,1H3,(H,25,29)
InChIKeySRQAUOYUAKGJIN-UHFFFAOYSA-N
XLogP3.91
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
4-(azepan-1-ylsulfonyl)-N-(1-phenylpyrazol-3-yl)benzamide
CID 2308367
3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392963
N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57396468
N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyrazole-4-carboxamide
CID 57398260
N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399909
N-butan-2-yl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399910
3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57401682
N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57401683
N-[(2S)-3,3-dimethylbutan-2-yl]-5-[(4-methylphenyl)sulfonylamino]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 57403416
4-Allyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 11013215
N4-Acetylsulfaphenazole
CID 3083651

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (CID 57394598) is N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCc3ccccc3)cnn2-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is SRQAUOYUAKGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-18-12-14-21(15-13-18)32(30,31)27-23-22(17-26-28(23)20-10-6-3-7-11-20)24(29)25-16-19-8-4-2-5-9-19/h2-15,17,27H,16H2,1H3,(H,25,29).
What are the key properties of N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57394598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).