N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide

C9H7F2N3O2S — CID 60912012

IUPACN-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1cn[nH]c1
InChIInChI=1S/C9H7F2N3O2S/c10-8-2-1-6(3-9(8)11)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyDMJSTDOJFKKBNA-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.49
Rot. Bonds3

About N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide

N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60912012) has the molecular formula C9H7F2N3O2S and a molecular weight of 259.24 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60912012
Molecular FormulaC9H7F2N3O2S
Molecular Weight259.24 g/mol
Exact Mass259.02
IUPAC NameN-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1cn[nH]c1
InChIInChI=1S/C9H7F2N3O2S/c10-8-2-1-6(3-9(8)11)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyDMJSTDOJFKKBNA-UHFFFAOYSA-N
XLogP1.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 103847505
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 60933682
3-[2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 77069486
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
N-(6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 78945043
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide (CID 60912012) is N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1cn[nH]c1.
What is the InChIKey of N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DMJSTDOJFKKBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2S/c10-8-2-1-6(3-9(8)11)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13).
What are the key properties of N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide?
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 259.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).