3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C10H9FN4O4S — CID 115992191

IUPAC3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H9FN4O4S/c11-8-2-1-3-9(10(8)15(16)17)20(18,19)14-6-7-4-12-13-5-7/h1-5,14H,6H2,(H,12,13)
InChIKeyOLZFMWKFFAAYKS-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.94
Rot. Bonds5

About 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 115992191) has the molecular formula C10H9FN4O4S and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID115992191
Molecular FormulaC10H9FN4O4S
Molecular Weight300.27 g/mol
Exact Mass300.03
IUPAC Name3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H9FN4O4S/c11-8-2-1-3-9(10(8)15(16)17)20(18,19)14-6-7-4-12-13-5-7/h1-5,14H,6H2,(H,12,13)
InChIKeyOLZFMWKFFAAYKS-UHFFFAOYSA-N
XLogP0.94
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.94
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'}

Analyze 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide 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

2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897073
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016129
N-(2-cyclopropylethyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 112695020
N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide
CID 104774020
2-fluoro-4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016085
3-(aminomethyl)-2,4-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016034
N-(3,3-dimethylbutyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 47331562
4-chloro-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61004535
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
3-fluoro-N-[(2R)-2-hydroxypropyl]-2-nitrobenzenesulfonamide
CID 113345507
3-fluoro-N-(2-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 112702783

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 115992191) is 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is OLZFMWKFFAAYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O4S/c11-8-2-1-3-9(10(8)15(16)17)20(18,19)14-6-7-4-12-13-5-7/h1-5,14H,6H2,(H,12,13).
What are the key properties of 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 300.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 115992191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).