2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide

C9H12FNO3S2 — CID 23448653

IUPAC2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide
SMILESCOc1cccc(SCCF)c1S(N)(=O)=O
InChIInChI=1S/C9H12FNO3S2/c1-14-7-3-2-4-8(15-6-5-10)9(7)16(11,12)13/h2-4H,5-6H2,1H3,(H2,11,12,13)
InChIKeyBGZOPWOCLRQVFK-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.40
Rot. Bonds5

About 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide

2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide (PubChem CID 23448653) has the molecular formula C9H12FNO3S2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide
PubChem CID23448653
Molecular FormulaC9H12FNO3S2
Molecular Weight265.33 g/mol
Exact Mass265.02
IUPAC Name2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide
SMILESCOc1cccc(SCCF)c1S(N)(=O)=O
InChIInChI=1S/C9H12FNO3S2/c1-14-7-3-2-4-8(15-6-5-10)9(7)16(11,12)13/h2-4H,5-6H2,1H3,(H2,11,12,13)
InChIKeyBGZOPWOCLRQVFK-UHFFFAOYSA-N
XLogP1.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-(trifluoromethoxy)benzenesulfonamide
CID 125434816
2-butanoyl-6-methoxybenzenesulfonamide
CID 114274389
4-(2-fluoroethylsulfanyl)-3-methoxyaniline
CID 80694260
methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate
CID 155035663
2-(2-aminoethylsulfanyl)benzenesulfonamide
CID 154389901
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
2-(3-methoxy-2-methylsulfonylphenyl)ethanamine
CID 117330971
2,6-dimethoxybenzenesulfonyl chloride;ethane
CID 155744790
4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
CID 141353715
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide
CID 47449102
[4-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]methanamine
CID 61291497

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide?
The IUPAC name of 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide (CID 23448653) is 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide.
What is the SMILES notation for 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide?
The canonical SMILES for 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide is COc1cccc(SCCF)c1S(N)(=O)=O.
What is the InChIKey of 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide?
The InChIKey is BGZOPWOCLRQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S2/c1-14-7-3-2-4-8(15-6-5-10)9(7)16(11,12)13/h2-4H,5-6H2,1H3,(H2,11,12,13).
What are the key properties of 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide?
2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide has a molecular weight of 265.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide is sourced from PubChem (CID 23448653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).