3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide

C17H20FNO4S — CID 71810535

IUPAC3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(OC)c2ccccc2C)cc1F
InChIInChI=1S/C17H20FNO4S/c1-12-6-4-5-7-14(12)17(23-3)11-19-24(20,21)13-8-9-16(22-2)15(18)10-13/h4-10,17,19H,11H2,1-3H3
InChIKeyPVZIQEAIQCGATE-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.81
Rot. Bonds7

About 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 71810535) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID71810535
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC Name3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(OC)c2ccccc2C)cc1F
InChIInChI=1S/C17H20FNO4S/c1-12-6-4-5-7-14(12)17(23-3)11-19-24(20,21)13-8-9-16(22-2)15(18)10-13/h4-10,17,19H,11H2,1-3H3
InChIKeyPVZIQEAIQCGATE-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 90598894
2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598905
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
CID 95367229
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90598926
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 90598088
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598155

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 71810535) is 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(OC)c2ccccc2C)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is PVZIQEAIQCGATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-12-6-4-5-7-14(12)17(23-3)11-19-24(20,21)13-8-9-16(22-2)15(18)10-13/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71810535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).