4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide

C14H11F4NO3S — CID 3463733

IUPAC4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11F4NO3S/c1-22-13-7-2-9(14(16,17)18)8-12(13)19-23(20,21)11-5-3-10(15)4-6-11/h2-8,19H,1H3
InChIKeyIUNRGJOKGYNGDP-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.65
Rot. Bonds4

About 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide

4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3463733) has the molecular formula C14H11F4NO3S and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3463733
Molecular FormulaC14H11F4NO3S
Molecular Weight349.31 g/mol
Exact Mass349.04
IUPAC Name4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11F4NO3S/c1-22-13-7-2-9(14(16,17)18)8-12(13)19-23(20,21)11-5-3-10(15)4-6-11/h2-8,19H,1H3
InChIKeyIUNRGJOKGYNGDP-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3673707
N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
CID 2106216
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3800442
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-nitrobenzenesulfonamide
CID 3847210

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3463733) is 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is IUNRGJOKGYNGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO3S/c1-22-13-7-2-9(14(16,17)18)8-12(13)19-23(20,21)11-5-3-10(15)4-6-11/h2-8,19H,1H3.
What are the key properties of 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 349.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3463733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).