4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide

C34H27N5O5S — CID 171662618

IUPAC4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C(=O)c3ccccc3)cc2)c1C
InChIInChI=1S/C34H27N5O5S/c1-22-23(2)37-44-34(22)38-45(42,43)28-20-18-26(19-21-28)35-33(41)30-29(32(40)25-14-8-4-9-15-25)31(24-12-6-3-7-13-24)39(36-30)27-16-10-5-11-17-27/h3-21,38H,1-2H3,(H,35,41)
InChIKeyCMQDKHIGWSXWBT-UHFFFAOYSA-N
MW617.69 g/mol
LogP6.43
Rot. Bonds9

About 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide

4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide (PubChem CID 171662618) has the molecular formula C34H27N5O5S and a molecular weight of 617.69 g/mol. Its IUPAC name is 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide
PubChem CID171662618
Molecular FormulaC34H27N5O5S
Molecular Weight617.69 g/mol
Exact Mass617.17
IUPAC Name4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C(=O)c3ccccc3)cc2)c1C
InChIInChI=1S/C34H27N5O5S/c1-22-23(2)37-44-34(22)38-45(42,43)28-20-18-26(19-21-28)35-33(41)30-29(32(40)25-14-8-4-9-15-25)31(24-12-6-3-7-13-24)39(36-30)27-16-10-5-11-17-27/h3-21,38H,1-2H3,(H,35,41)
InChIKeyCMQDKHIGWSXWBT-UHFFFAOYSA-N
XLogP6.43
TPSA136.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.69
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide (CID 171662618) is 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C(=O)c3ccccc3)cc2)c1C.
What is the InChIKey of 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide?
The InChIKey is CMQDKHIGWSXWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N5O5S/c1-22-23(2)37-44-34(22)38-45(42,43)28-20-18-26(19-21-28)35-33(41)30-29(32(40)25-14-8-4-9-15-25)31(24-12-6-3-7-13-24)39(36-30)27-16-10-5-11-17-27/h3-21,38H,1-2H3,(H,35,41).
What are the key properties of 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide?
4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide has a molecular weight of 617.69 g/mol, XLogP of 6.43, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 171662618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).