N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide

C18H22FNO3S — CID 90599231

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
SMILESCOC(C)(CNS(=O)(=O)CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C18H22FNO3S/c1-18(23-2,16-10-6-7-11-17(16)19)14-20-24(21,22)13-12-15-8-4-3-5-9-15/h3-11,20H,12-14H2,1-2H3
InChIKeyMYCDGNGPRNOUFU-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.85
Rot. Bonds8

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide (PubChem CID 90599231) has the molecular formula C18H22FNO3S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
PubChem CID90599231
Molecular FormulaC18H22FNO3S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
SMILESCOC(C)(CNS(=O)(=O)CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C18H22FNO3S/c1-18(23-2,16-10-6-7-11-17(16)19)14-20-24(21,22)13-12-15-8-4-3-5-9-15/h3-11,20H,12-14H2,1-2H3
InChIKeyMYCDGNGPRNOUFU-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90599242
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599294
2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599250
3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599225
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 97428450
2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide
CID 90599295
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71810666
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 95368060

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide (CID 90599231) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide is COC(C)(CNS(=O)(=O)CCc1ccccc1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide?
The InChIKey is MYCDGNGPRNOUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S/c1-18(23-2,16-10-6-7-11-17(16)19)14-20-24(21,22)13-12-15-8-4-3-5-9-15/h3-11,20H,12-14H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide has a molecular weight of 351.44 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 90599231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).