N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide

C20H21FN4O3S — CID 141001752

IUPACN-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccn[nH]2)ccc1-c1ccccc1F
InChIInChI=1S/C20H21FN4O3S/c1-20(2,3)25-29(27,28)18-12-13(23-19(26)17-10-11-22-24-17)8-9-15(18)14-6-4-5-7-16(14)21/h4-12,25H,1-3H3,(H,22,24)(H,23,26)
InChIKeyLXKHMAQESNZBDN-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.54
Rot. Bonds5

About N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide

N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 141001752) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID141001752
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC NameN-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccn[nH]2)ccc1-c1ccccc1F
InChIInChI=1S/C20H21FN4O3S/c1-20(2,3)25-29(27,28)18-12-13(23-19(26)17-10-11-22-24-17)8-9-15(18)14-6-4-5-7-16(14)21/h4-12,25H,1-3H3,(H,22,24)(H,23,26)
InChIKeyLXKHMAQESNZBDN-UHFFFAOYSA-N
XLogP3.54
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide (CID 141001752) is N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide is CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2ccn[nH]2)ccc1-c1ccccc1F.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LXKHMAQESNZBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-20(2,3)25-29(27,28)18-12-13(23-19(26)17-10-11-22-24-17)8-9-15(18)14-6-4-5-7-16(14)21/h4-12,25H,1-3H3,(H,22,24)(H,23,26).
What are the key properties of N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide?
N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)-4-(2-fluorophenyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141001752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).