2-fluoro-N-methoxy-4-nitrobenzenesulfonamide

C7H7FN2O5S — CID 61072233

IUPAC2-fluoro-N-methoxy-4-nitrobenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C7H7FN2O5S/c1-15-9-16(13,14)7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,1H3
InChIKeyFMVXBYVCVBEDFB-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.57
Rot. Bonds4

About 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide

2-fluoro-N-methoxy-4-nitrobenzenesulfonamide (PubChem CID 61072233) has the molecular formula C7H7FN2O5S and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methoxy-4-nitrobenzenesulfonamide
PubChem CID61072233
Molecular FormulaC7H7FN2O5S
Molecular Weight250.21 g/mol
Exact Mass250.01
IUPAC Name2-fluoro-N-methoxy-4-nitrobenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C7H7FN2O5S/c1-15-9-16(13,14)7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,1H3
InChIKeyFMVXBYVCVBEDFB-UHFFFAOYSA-N
XLogP0.57
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
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-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
2-fluoro-4-nitro-N-prop-2-ynylbenzenesulfonamide
CID 54978632
(2-fluoro-4-nitrophenyl)-trimethyl-λ4-sulfane
CID 126615200
N-methoxy-4-nitrobenzenesulfonamide
CID 56777248
2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-nitrobenzenesulfonamide
CID 115362999
2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-nitrobenzenesulfonamide
CID 83097924
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-4-nitrobenzenesulfonamide
CID 103918620
2-fluoro-4-nitro-N-(3-sulfamoylpropyl)benzenesulfonamide
CID 61226075
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102990213
N-[2-(cyclopropylamino)ethyl]-2-fluoro-4-nitrobenzenesulfonamide
CID 62664624
(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751484
2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564848

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide?
The IUPAC name of 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide (CID 61072233) is 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide is CONS(=O)(=O)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide?
The InChIKey is FMVXBYVCVBEDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O5S/c1-15-9-16(13,14)7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,1H3.
What are the key properties of 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide?
2-fluoro-N-methoxy-4-nitrobenzenesulfonamide has a molecular weight of 250.21 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxy-4-nitrobenzenesulfonamide is sourced from PubChem (CID 61072233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).