4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide

C20H21ClN4O4S — CID 26499964

IUPAC4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H21ClN4O4S/c1-13-18(20(27)25(24(13)4)15-8-6-5-7-9-15)22-19(26)14-10-11-16(21)17(12-14)30(28,29)23(2)3/h5-12H,1-4H3,(H,22,26)
InChIKeyKYPXWIRBGWCXBF-UHFFFAOYSA-N
MW448.93 g/mol
LogP2.64
Rot. Bonds5

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

4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 26499964) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide
PubChem CID26499964
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC Name4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H21ClN4O4S/c1-13-18(20(27)25(24(13)4)15-8-6-5-7-9-15)22-19(26)14-10-11-16(21)17(12-14)30(28,29)23(2)3/h5-12H,1-4H3,(H,22,26)
InChIKeyKYPXWIRBGWCXBF-UHFFFAOYSA-N
XLogP2.64
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4198300
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2992617
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
4-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 1107853
4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 2329120
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 2240078
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 60617104
4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-phenylbenzamide
CID 2335058
4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide
CID 166345956
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide (CID 26499964) is 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide is Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is KYPXWIRBGWCXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c1-13-18(20(27)25(24(13)4)15-8-6-5-7-9-15)22-19(26)14-10-11-16(21)17(12-14)30(28,29)23(2)3/h5-12H,1-4H3,(H,22,26).
What are the key properties of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide?
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 448.93 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 26499964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).