4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide

C15H16FNO5S2 — CID 54774411

IUPAC4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO5S2/c1-22-13-4-8-14(9-5-13)23(18,19)11-10-17-24(20,21)15-6-2-12(16)3-7-15/h2-9,17H,10-11H2,1H3
InChIKeyTWKGLKCCEIZFRY-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.59
Rot. Bonds7

About 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide

4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide (PubChem CID 54774411) has the molecular formula C15H16FNO5S2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
PubChem CID54774411
Molecular FormulaC15H16FNO5S2
Molecular Weight373.43 g/mol
Exact Mass373.05
IUPAC Name4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H16FNO5S2/c1-22-13-4-8-14(9-5-13)23(18,19)11-10-17-24(20,21)15-6-2-12(16)3-7-15/h2-9,17H,10-11H2,1H3
InChIKeyTWKGLKCCEIZFRY-UHFFFAOYSA-N
XLogP1.59
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774369
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
CID 54774396
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide (CID 54774411) is 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide?
The InChIKey is TWKGLKCCEIZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO5S2/c1-22-13-4-8-14(9-5-13)23(18,19)11-10-17-24(20,21)15-6-2-12(16)3-7-15/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide?
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 54774411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).