5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid

C18H16N4O5S — CID 59608730

IUPAC5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid
SMILESCc1ccc(-c2[nH]nc(NC(=O)c3cccc(S(N)(=O)=O)c3)c2C(=O)O)cc1
InChIInChI=1S/C18H16N4O5S/c1-10-5-7-11(8-6-10)15-14(18(24)25)16(22-21-15)20-17(23)12-3-2-4-13(9-12)28(19,26)27/h2-9H,1H3,(H,24,25)(H2,19,26,27)(H2,20,21,22,23)
InChIKeyOHDCYJCNHOZANB-UHFFFAOYSA-N
MW400.42 g/mol
LogP1.98
Rot. Bonds5

About 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid

5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid (PubChem CID 59608730) has the molecular formula C18H16N4O5S and a molecular weight of 400.42 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid
PubChem CID59608730
Molecular FormulaC18H16N4O5S
Molecular Weight400.42 g/mol
Exact Mass400.08
IUPAC Name5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid
SMILESCc1ccc(-c2[nH]nc(NC(=O)c3cccc(S(N)(=O)=O)c3)c2C(=O)O)cc1
InChIInChI=1S/C18H16N4O5S/c1-10-5-7-11(8-6-10)15-14(18(24)25)16(22-21-15)20-17(23)12-3-2-4-13(9-12)28(19,26)27/h2-9H,1H3,(H,24,25)(H2,19,26,27)(H2,20,21,22,23)
InChIKeyOHDCYJCNHOZANB-UHFFFAOYSA-N
XLogP1.98
TPSA155.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide
CID 70826272
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-ethyl-3-sulfamoylbenzamide
CID 43089872
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
ethyl 3-[(4-bromobenzoyl)amino]-5-phenyl-1H-pyrazole-4-carboxylate
CID 66557736
N-(2,4-difluoro-3-methylphenyl)-3-sulfamoylbenzamide
CID 153066549
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 4591569

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid (CID 59608730) is 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid is Cc1ccc(-c2[nH]nc(NC(=O)c3cccc(S(N)(=O)=O)c3)c2C(=O)O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid?
The InChIKey is OHDCYJCNHOZANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5S/c1-10-5-7-11(8-6-10)15-14(18(24)25)16(22-21-15)20-17(23)12-3-2-4-13(9-12)28(19,26)27/h2-9H,1H3,(H,24,25)(H2,19,26,27)(H2,20,21,22,23).
What are the key properties of 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid?
5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid has a molecular weight of 400.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 59608730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).