(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide

C17H18FNO3S — CID 73168430

IUPAC(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
SMILESCOC(CNS(=O)(=O)/C=C/c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H18FNO3S/c1-22-17(15-8-5-9-16(18)12-15)13-19-23(20,21)11-10-14-6-3-2-4-7-14/h2-12,17,19H,13H2,1H3/b11-10+
InChIKeyLVAJZYCMNMCYSZ-ZHACJKMWSA-N
MW335.40 g/mol
LogP3.10
Rot. Bonds7

About (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide

(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide (PubChem CID 73168430) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
PubChem CID73168430
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
SMILESCOC(CNS(=O)(=O)/C=C/c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H18FNO3S/c1-22-17(15-8-5-9-16(18)12-15)13-19-23(20,21)11-10-14-6-3-2-4-7-14/h2-12,17,19H,13H2,1H3/b11-10+
InChIKeyLVAJZYCMNMCYSZ-ZHACJKMWSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
CID 90623062
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 90623048
(E)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylethenesulfonamide
CID 51169691
(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
CID 43605703
4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 73168435
N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 90623072
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 73168447
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
2-(3-fluorophenyl)-2-methoxyethanesulfonic acid
CID 115040043
1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide
CID 86819915
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide (CID 73168430) is (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide is COC(CNS(=O)(=O)/C=C/c1ccccc1)c1cccc(F)c1.
What is the InChIKey of (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide?
The InChIKey is LVAJZYCMNMCYSZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-22-17(15-8-5-9-16(18)12-15)13-19-23(20,21)11-10-14-6-3-2-4-7-14/h2-12,17,19H,13H2,1H3/b11-10+.
What are the key properties of (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide?
(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide has a molecular weight of 335.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 73168430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).