2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide

C9H10FNO3S — CID 11831261

IUPAC2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C=O)ccc1F
InChIInChI=1S/C9H10FNO3S/c1-11(2)15(13,14)9-5-7(6-12)3-4-8(9)10/h3-6H,1-2H3
InChIKeyUIHNZHVGAYTTPY-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.89
Rot. Bonds3

About 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide

2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide (PubChem CID 11831261) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide
PubChem CID11831261
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC Name2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C=O)ccc1F
InChIInChI=1S/C9H10FNO3S/c1-11(2)15(13,14)9-5-7(6-12)3-4-8(9)10/h3-6H,1-2H3
InChIKeyUIHNZHVGAYTTPY-UHFFFAOYSA-N
XLogP0.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-formylbenzenesulfonamide
CID 112756760
2-[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]guanidine
CID 168591730
[[3-(dimethylsulfamoyl)-4-fluorophenyl]methylideneamino]urea
CID 168533556
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373
3-fluoro-4-methylsulfonylbenzaldehyde
CID 21251732
3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde
CID 39232113
3-(bromomethyl)-4-fluorobenzaldehyde;ethane
CID 145351644
N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792846
N-[1-[(2-fluoro-5-formylphenyl)sulfonylamino]ethyl]-3-hydroxythiophene-2-carboxamide
CID 123474330
5-fluoro-N,N-dimethyl-2-[(E)-3-oxoprop-1-enyl]benzenesulfonamide
CID 88973623
4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde
CID 161410830
(NE)-N-[(4-fluoro-3-methylsulfonylphenyl)methylidene]hydroxylamine
CID 71615683

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide (CID 11831261) is 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(C=O)ccc1F.
What is the InChIKey of 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide?
The InChIKey is UIHNZHVGAYTTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S/c1-11(2)15(13,14)9-5-7(6-12)3-4-8(9)10/h3-6H,1-2H3.
What are the key properties of 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide?
2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide has a molecular weight of 231.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-formyl-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 11831261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).