3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide

C10H9FN4O4S — CID 47345276

IUPAC3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1
InChIInChI=1S/C10H9FN4O4S/c1-14-6-7(5-12-14)13-20(18,19)9-4-2-3-8(11)10(9)15(16)17/h2-6,13H,1H3
InChIKeyKPOYXAZODVGMMB-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.27
Rot. Bonds4

About 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide

3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide (PubChem CID 47345276) has the molecular formula C10H9FN4O4S and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
PubChem CID47345276
Molecular FormulaC10H9FN4O4S
Molecular Weight300.27 g/mol
Exact Mass300.03
IUPAC Name3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1
InChIInChI=1S/C10H9FN4O4S/c1-14-6-7(5-12-14)13-20(18,19)9-4-2-3-8(11)10(9)15(16)17/h2-6,13H,1H3
InChIKeyKPOYXAZODVGMMB-UHFFFAOYSA-N
XLogP1.27
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide 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

N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115584203
2,3-difluoro-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]benzenesulfonamide
CID 71852241
3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide
CID 115584207
3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 112694993
2-(ethylamino)-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 62146252
4-amino-3-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 82843709
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115589504
N-(1-ethylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 39836912
3-fluoro-N-[(2R)-2-hydroxypropyl]-2-nitrobenzenesulfonamide
CID 113345507
N-(2,2-dimethylcyclopropyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 112674555
3-fluoro-N-(2-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 112702783
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide (CID 47345276) is 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide is Cn1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1.
What is the InChIKey of 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide?
The InChIKey is KPOYXAZODVGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O4S/c1-14-6-7(5-12-14)13-20(18,19)9-4-2-3-8(11)10(9)15(16)17/h2-6,13H,1H3.
What are the key properties of 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide?
3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide has a molecular weight of 300.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 47345276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).