N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide

C13H14F2N4O3S — CID 70312792

IUPACN-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(NC(=O)n2cccn2)c1F
InChIInChI=1S/C13H14F2N4O3S/c1-2-8-23(21,22)18-10-5-4-9(14)12(11(10)15)17-13(20)19-7-3-6-16-19/h3-7,18H,2,8H2,1H3,(H,17,20)
InChIKeyDMGGUKJATHSAKZ-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.39
Rot. Bonds5

About N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide

N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide (PubChem CID 70312792) has the molecular formula C13H14F2N4O3S and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide
PubChem CID70312792
Molecular FormulaC13H14F2N4O3S
Molecular Weight344.34 g/mol
Exact Mass344.08
IUPAC NameN-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(NC(=O)n2cccn2)c1F
InChIInChI=1S/C13H14F2N4O3S/c1-2-8-23(21,22)18-10-5-4-9(14)12(11(10)15)17-13(20)19-7-3-6-16-19/h3-7,18H,2,8H2,1H3,(H,17,20)
InChIKeyDMGGUKJATHSAKZ-UHFFFAOYSA-N
XLogP2.39
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea
CID 47090322
1-[4-(Difluoromethylsulfonyl)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 53530281
1-(5-Fluoro-2-pyrazol-1-ylphenyl)-3-(2-methylsulfinylethyl)urea
CID 71992291
N-(4-aminophenyl)-N-(trifluoromethyl)-1h-pyrazole-1-carboxamide
CID 129887122
N-phenylpyrazole-1-carboxamide
CID 3495353
3-[1-(3,5-Difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10093146
3-[1-(3,5-Difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea
CID 10321077
3-[1-(3,5-Difluorophenyl)pyrazol-4-yl]-1-(1-ethylsulfonylpiperidin-4-yl)-1-methylurea
CID 10365205
3-(difluoromethyl)-N-phenylpyrazole-1-carboxamide
CID 68848962
N-(2-fluorophenyl)pyrazole-1-carboxamide
CID 90700477
N-(3,5-difluorophenyl)pyrazole-1-carboxamide
CID 91214273
N-(2,5-difluorophenyl)pyrazole-1-carboxamide
CID 91805682

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide (CID 70312792) is N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide is CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)n2cccn2)c1F.
What is the InChIKey of N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide?
The InChIKey is DMGGUKJATHSAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O3S/c1-2-8-23(21,22)18-10-5-4-9(14)12(11(10)15)17-13(20)19-7-3-6-16-19/h3-7,18H,2,8H2,1H3,(H,17,20).
What are the key properties of N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide?
N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 70312792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).