4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

C32H23N5O4S2 — CID 171662615

IUPAC4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C32H23N5O4S2/c38-30(23-12-6-2-7-13-23)27-28(35-37(25-14-8-3-9-15-25)29(27)22-10-4-1-5-11-22)31(39)34-24-16-18-26(19-17-24)43(40,41)36-32-33-20-21-42-32/h1-21H,(H,33,36)(H,34,39)
InChIKeyCTVHKHVCIKCIDK-UHFFFAOYSA-N
MW605.70 g/mol
LogP6.28
Rot. Bonds9

About 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide

4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 171662615) has the molecular formula C32H23N5O4S2 and a molecular weight of 605.70 g/mol. Its IUPAC name is 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID171662615
Molecular FormulaC32H23N5O4S2
Molecular Weight605.70 g/mol
Exact Mass605.12
IUPAC Name4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C32H23N5O4S2/c38-30(23-12-6-2-7-13-23)27-28(35-37(25-14-8-3-9-15-25)29(27)22-10-4-1-5-11-22)31(39)34-24-16-18-26(19-17-24)43(40,41)36-32-33-20-21-42-32/h1-21H,(H,33,36)(H,34,39)
InChIKeyCTVHKHVCIKCIDK-UHFFFAOYSA-N
XLogP6.28
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.70
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide (CID 171662615) is 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is CTVHKHVCIKCIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N5O4S2/c38-30(23-12-6-2-7-13-23)27-28(35-37(25-14-8-3-9-15-25)29(27)22-10-4-1-5-11-22)31(39)34-24-16-18-26(19-17-24)43(40,41)36-32-33-20-21-42-32/h1-21H,(H,33,36)(H,34,39).
What are the key properties of 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide?
4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 605.70 g/mol, XLogP of 6.28, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1,5-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 171662615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).