N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide

C16H12F2N4O3S — CID 53115437

IUPACN-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cn[nH]c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C16H12F2N4O3S/c17-13-7-6-11(8-14(13)18)20-15(23)12-9-19-21-16(12)26(24,25)22-10-4-2-1-3-5-10/h1-9,22H,(H,19,21)(H,20,23)
InChIKeyDQOKQTLEJWHQBK-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.74
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide

N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide (PubChem CID 53115437) has the molecular formula C16H12F2N4O3S and a molecular weight of 378.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
PubChem CID53115437
Molecular FormulaC16H12F2N4O3S
Molecular Weight378.36 g/mol
Exact Mass378.06
IUPAC NameN-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cn[nH]c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C16H12F2N4O3S/c17-13-7-6-11(8-14(13)18)20-15(23)12-9-19-21-16(12)26(24,25)22-10-4-2-1-3-5-10/h1-9,22H,(H,19,21)(H,20,23)
InChIKeyDQOKQTLEJWHQBK-UHFFFAOYSA-N
XLogP2.74
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide (CID 53115437) is N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cn[nH]c1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DQOKQTLEJWHQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O3S/c17-13-7-6-11(8-14(13)18)20-15(23)12-9-19-21-16(12)26(24,25)22-10-4-2-1-3-5-10/h1-9,22H,(H,19,21)(H,20,23).
What are the key properties of N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).