2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide

C16H16F3NO3S — CID 90599250

IUPAC2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1F
InChIInChI=1S/C16H16F3NO3S/c1-16(23-2,12-5-3-4-6-13(12)18)10-20-24(21,22)15-8-7-11(17)9-14(15)19/h3-9,20H,10H2,1-2H3
InChIKeySEAPYULYJUHZGR-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.94
Rot. Bonds6

About 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide

2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide (PubChem CID 90599250) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
PubChem CID90599250
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC Name2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1F
InChIInChI=1S/C16H16F3NO3S/c1-16(23-2,12-5-3-4-6-13(12)18)10-20-24(21,22)15-8-7-11(17)9-14(15)19/h3-9,20H,10H2,1-2H3
InChIKeySEAPYULYJUHZGR-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599225
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
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599294
5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 97428450
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
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71810666
2,4-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498039
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
CID 90599231
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
CID 65113216
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide (CID 90599250) is 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide is COC(C)(CNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
The InChIKey is SEAPYULYJUHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-16(23-2,12-5-3-4-6-13(12)18)10-20-24(21,22)15-8-7-11(17)9-14(15)19/h3-9,20H,10H2,1-2H3.
What are the key properties of 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide is sourced from PubChem (CID 90599250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).