N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H9FN4O4S — CID 81313064

IUPACN-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H9FN4O4S/c1-6-9(5-12-13-6)20(18,19)14-10-7(11)3-2-4-8(10)15(16)17/h2-5,14H,1H3,(H,12,13)
InChIKeyXOAZXVVFHNHZFY-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.57
Rot. Bonds4

About N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 81313064) has the molecular formula C10H9FN4O4S and a molecular weight of 300.27 g/mol. Its IUPAC name is N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID81313064
Molecular FormulaC10H9FN4O4S
Molecular Weight300.27 g/mol
Exact Mass300.03
IUPAC NameN-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H9FN4O4S/c1-6-9(5-12-13-6)20(18,19)14-10-7(11)3-2-4-8(10)15(16)17/h2-5,14H,1H3,(H,12,13)
InChIKeyXOAZXVVFHNHZFY-UHFFFAOYSA-N
XLogP1.57
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275948
N-(2-fluoro-6-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81307188
2-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-nitroaniline
CID 81310700
3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 80583821
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 43547583
N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66257339
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-fluoro-6-nitroaniline
CID 81310437
N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 81313064) is N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XOAZXVVFHNHZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O4S/c1-6-9(5-12-13-6)20(18,19)14-10-7(11)3-2-4-8(10)15(16)17/h2-5,14H,1H3,(H,12,13).
What are the key properties of N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 300.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 81313064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).