2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide

C9H10FNO3S — CID 143860184

IUPAC2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide
SMILESCN(CC=O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C9H10FNO3S/c1-11(6-7-12)15(13,14)9-5-3-2-4-8(9)10/h2-5,7H,6H2,1H3
InChIKeyFDFKXIKVQAKQLA-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.65
Rot. Bonds4

About 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide

2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide (PubChem CID 143860184) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide
PubChem CID143860184
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC Name2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide
SMILESCN(CC=O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C9H10FNO3S/c1-11(6-7-12)15(13,14)9-5-3-2-4-8(9)10/h2-5,7H,6H2,1H3
InChIKeyFDFKXIKVQAKQLA-UHFFFAOYSA-N
XLogP0.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.65
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

N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
CID 63397262
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide
CID 63695562
2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide
CID 115640458
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 97061108
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207567
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60627449
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 114242897
N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide
CID 167982152

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide (CID 143860184) is 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide is CN(CC=O)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide?
The InChIKey is FDFKXIKVQAKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S/c1-11(6-7-12)15(13,14)9-5-3-2-4-8(9)10/h2-5,7H,6H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide?
2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide has a molecular weight of 231.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 143860184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).