2-fluoro-5-formylbenzenesulfonamide

C7H6FNO3S — CID 112756760

IUPAC2-fluoro-5-formylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C=O)ccc1F
InChIInChI=1S/C7H6FNO3S/c8-6-2-1-5(4-10)3-7(6)13(9,11)12/h1-4H,(H2,9,11,12)
InChIKeySGBDVNJNKBXEBP-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.29
Rot. Bonds2

About 2-fluoro-5-formylbenzenesulfonamide

2-fluoro-5-formylbenzenesulfonamide (PubChem CID 112756760) has the molecular formula C7H6FNO3S and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-fluoro-5-formylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-formylbenzenesulfonamide
PubChem CID112756760
Molecular FormulaC7H6FNO3S
Molecular Weight203.19 g/mol
Exact Mass203.01
IUPAC Name2-fluoro-5-formylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C=O)ccc1F
InChIInChI=1S/C7H6FNO3S/c8-6-2-1-5(4-10)3-7(6)13(9,11)12/h1-4H,(H2,9,11,12)
InChIKeySGBDVNJNKBXEBP-UHFFFAOYSA-N
XLogP0.29
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide
CID 11831261
3-fluoro-4-methylsulfonylbenzaldehyde
CID 21251732
5-formyl-2-phenoxybenzenesulfonamide
CID 129252549
5-cyano-2-fluorobenzenesulfonamide
CID 67530919
4-fluoro-3-hydroxybenzaldehyde;tribromoborane
CID 160631935
5-(2-bromoacetyl)-2-fluorobenzenesulfonamide
CID 11808590
5,7-difluoronaphthalene-2-carbaldehyde
CID 10845407
2-fluoro-5-(2-methyl-1,3-dioxol-2-yl)benzenesulfonamide
CID 138558007
N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide
CID 123474330
3-fluoro-4-(2,3,4-trifluorophenyl)benzaldehyde
CID 81448027
3-(3,4-difluorophenyl)-4-fluorobenzaldehyde
CID 61033610
4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde
CID 161454151

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-formylbenzenesulfonamide?
The IUPAC name of 2-fluoro-5-formylbenzenesulfonamide (CID 112756760) is 2-fluoro-5-formylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-formylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-5-formylbenzenesulfonamide is NS(=O)(=O)c1cc(C=O)ccc1F.
What is the InChIKey of 2-fluoro-5-formylbenzenesulfonamide?
The InChIKey is SGBDVNJNKBXEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3S/c8-6-2-1-5(4-10)3-7(6)13(9,11)12/h1-4H,(H2,9,11,12).
What are the key properties of 2-fluoro-5-formylbenzenesulfonamide?
2-fluoro-5-formylbenzenesulfonamide has a molecular weight of 203.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-formylbenzenesulfonamide is sourced from PubChem (CID 112756760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).