4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide

C9H12FNO3S2 — CID 115631989

IUPAC4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCS(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO3S2/c1-15(12)7-6-11-16(13,14)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyZEXUSFMHIDZPNI-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.48
Rot. Bonds5

About 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide

4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide (PubChem CID 115631989) has the molecular formula C9H12FNO3S2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
PubChem CID115631989
Molecular FormulaC9H12FNO3S2
Molecular Weight265.33 g/mol
Exact Mass265.02
IUPAC Name4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
SMILESCS(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO3S2/c1-15(12)7-6-11-16(13,14)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyZEXUSFMHIDZPNI-UHFFFAOYSA-N
XLogP0.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-methylsulfinylpropyl)benzene-1,4-disulfonamide
CID 115632032
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
N-benzyl-4-fluorobenzenesulfonamide
CID 835474

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide (CID 115631989) is 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide is CS(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide?
The InChIKey is ZEXUSFMHIDZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S2/c1-15(12)7-6-11-16(13,14)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide?
4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide has a molecular weight of 265.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide is sourced from PubChem (CID 115631989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).