4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

C22H17ClN4O3S — CID 19355248

IUPAC4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2n[nH]c(C(=O)Nc3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-10-6-14(7-11-16)19-20(15-8-12-18(13-9-15)31(24,29)30)26-27-21(19)22(28)25-17-4-2-1-3-5-17/h1-13H,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyUGUJBWYZQHLSIN-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.30
Rot. Bonds5

About 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19355248) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19355248
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2n[nH]c(C(=O)Nc3ccccc3)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-10-6-14(7-11-16)19-20(15-8-12-18(13-9-15)31(24,29)30)26-27-21(19)22(28)25-17-4-2-1-3-5-17/h1-13H,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyUGUJBWYZQHLSIN-UHFFFAOYSA-N
XLogP4.30
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (CID 19355248) is 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is NS(=O)(=O)c1ccc(-c2n[nH]c(C(=O)Nc3ccccc3)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UGUJBWYZQHLSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-16-10-6-14(7-11-16)19-20(15-8-12-18(13-9-15)31(24,29)30)26-27-21(19)22(28)25-17-4-2-1-3-5-17/h1-13H,(H,25,28)(H,26,27)(H2,24,29,30).
What are the key properties of 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-phenyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19355248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).