N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide

C10H8F3N3O3S — CID 102691951

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)c(F)c1)c1ccn[nH]1
InChIInChI=1S/C10H8F3N3O3S/c11-7-5-6(1-2-8(7)19-10(12)13)16-20(17,18)9-3-4-14-15-9/h1-5,10,16H,(H,14,15)
InChIKeyGICQMNNXXSWMIE-UHFFFAOYSA-N
MW307.25 g/mol
LogP1.95
Rot. Bonds5

About N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691951) has the molecular formula C10H8F3N3O3S and a molecular weight of 307.25 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691951
Molecular FormulaC10H8F3N3O3S
Molecular Weight307.25 g/mol
Exact Mass307.02
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)c(F)c1)c1ccn[nH]1
InChIInChI=1S/C10H8F3N3O3S/c11-7-5-6(1-2-8(7)19-10(12)13)16-20(17,18)9-3-4-14-15-9/h1-5,10,16H,(H,14,15)
InChIKeyGICQMNNXXSWMIE-UHFFFAOYSA-N
XLogP1.95
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 61126289
N-[4-(difluoromethoxy)-3-fluorophenyl]benzenesulfonamide
CID 60534485
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691734
2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692467
4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 146091956
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
CID 102691039
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide (CID 102691951) is N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ccc(OC(F)F)c(F)c1)c1ccn[nH]1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is GICQMNNXXSWMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3S/c11-7-5-6(1-2-8(7)19-10(12)13)16-20(17,18)9-3-4-14-15-9/h1-5,10,16H,(H,14,15).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 307.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).