3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide

C16H17F2NO3S — CID 90599225

IUPAC3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cccc(F)c1)c1ccccc1F
InChIInChI=1S/C16H17F2NO3S/c1-16(22-2,14-8-3-4-9-15(14)18)11-19-23(20,21)13-7-5-6-12(17)10-13/h3-10,19H,11H2,1-2H3
InChIKeyCSWJBZTZYJHUBA-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.80
Rot. Bonds6

About 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide

3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide (PubChem CID 90599225) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
PubChem CID90599225
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cccc(F)c1)c1ccccc1F
InChIInChI=1S/C16H17F2NO3S/c1-16(22-2,14-8-3-4-9-15(14)18)11-19-23(20,21)13-7-5-6-12(17)10-13/h3-10,19H,11H2,1-2H3
InChIKeyCSWJBZTZYJHUBA-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599250
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599294
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71810675
4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide
CID 90599293
2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide
CID 90599295
1-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90599242
5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 97428450
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71810666
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
CID 90599231
N-(4-bromo-2,2-dimethylbutyl)-3-fluorobenzenesulfonamide
CID 114149778
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide (CID 90599225) is 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide is COC(C)(CNS(=O)(=O)c1cccc(F)c1)c1ccccc1F.
What is the InChIKey of 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
The InChIKey is CSWJBZTZYJHUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-16(22-2,14-8-3-4-9-15(14)18)11-19-23(20,21)13-7-5-6-12(17)10-13/h3-10,19H,11H2,1-2H3.
What are the key properties of 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide is sourced from PubChem (CID 90599225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).