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

C16H13ClN4O3S — CID 19355558

IUPAC4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O3S/c17-11-5-1-9(2-6-11)13-14(20-21-15(13)16(18)22)10-3-7-12(8-4-10)25(19,23)24/h1-8H,(H2,18,22)(H,20,21)(H2,19,23,24)
InChIKeyAJRIAGDGDBRZEC-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.14
Rot. Bonds4

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

4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19355558) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19355558
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O3S/c17-11-5-1-9(2-6-11)13-14(20-21-15(13)16(18)22)10-3-7-12(8-4-10)25(19,23)24/h1-8H,(H2,18,22)(H,20,21)(H2,19,23,24)
InChIKeyAJRIAGDGDBRZEC-UHFFFAOYSA-N
XLogP2.14
TPSA131.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (CID 19355558) is 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is AJRIAGDGDBRZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c17-11-5-1-9(2-6-11)13-14(20-21-15(13)16(18)22)10-3-7-12(8-4-10)25(19,23)24/h1-8H,(H2,18,22)(H,20,21)(H2,19,23,24).
What are the key properties of 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 376.83 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19355558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).