2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

C25H24N4O4S — CID 1019170

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H24N4O4S/c1-18-23(25(31)29(27(18)2)19-12-6-4-7-13-19)26-24(30)21-16-10-11-17-22(21)28(3)34(32,33)20-14-8-5-9-15-20/h4-17H,1-3H3,(H,26,30)
InChIKeyJRZLBGFVOBOZHU-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.56
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (PubChem CID 1019170) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
PubChem CID1019170
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H24N4O4S/c1-18-23(25(31)29(27(18)2)19-12-6-4-7-13-19)26-24(30)21-16-10-11-17-22(21)28(3)34(32,33)20-14-8-5-9-15-20/h4-17H,1-3H3,(H,26,30)
InChIKeyJRZLBGFVOBOZHU-UHFFFAOYSA-N
XLogP3.56
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (CID 1019170) is 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is Cc1c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The InChIKey is JRZLBGFVOBOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-18-23(25(31)29(27(18)2)19-12-6-4-7-13-19)26-24(30)21-16-10-11-17-22(21)28(3)34(32,33)20-14-8-5-9-15-20/h4-17H,1-3H3,(H,26,30).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide has a molecular weight of 476.56 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 1019170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).