2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid

C18H15ClN4O5S — CID 10003065

IUPAC2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCC(=O)O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN4O5S/c19-12-3-1-11(2-4-12)16-9-15(18(26)21-10-17(24)25)22-23(16)13-5-7-14(8-6-13)29(20,27)28/h1-9H,10H2,(H,21,26)(H,24,25)(H2,20,27,28)
InChIKeyIEYRWFZMBDMJJW-UHFFFAOYSA-N
MW434.86 g/mol
LogP1.65
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid

2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid (PubChem CID 10003065) has the molecular formula C18H15ClN4O5S and a molecular weight of 434.86 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
PubChem CID10003065
Molecular FormulaC18H15ClN4O5S
Molecular Weight434.86 g/mol
Exact Mass434.05
IUPAC Name2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCC(=O)O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClN4O5S/c19-12-3-1-11(2-4-12)16-9-15(18(26)21-10-17(24)25)22-23(16)13-5-7-14(8-6-13)29(20,27)28/h1-9H,10H2,(H,21,26)(H,24,25)(H2,20,27,28)
InChIKeyIEYRWFZMBDMJJW-UHFFFAOYSA-N
XLogP1.65
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.86
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 139726206
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 158834534
4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668569
4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668414
bis[(4-bromophenyl)-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]methoxy]-oxophosphanium
CID 175023474
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methanesulfinic acid
CID 137462338
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
3-morpholin-4-ylpropyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155527852

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid (CID 10003065) is 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid is NS(=O)(=O)c1ccc(-n2nc(C(=O)NCC(=O)O)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is IEYRWFZMBDMJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O5S/c19-12-3-1-11(2-4-12)16-9-15(18(26)21-10-17(24)25)22-23(16)13-5-7-14(8-6-13)29(20,27)28/h1-9H,10H2,(H,21,26)(H,24,25)(H2,20,27,28).
What are the key properties of 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 434.86 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 10003065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).