2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide

C13H9F4NO3S — CID 12016875

IUPAC2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1F
InChIInChI=1S/C13H9F4NO3S/c1-21-10-4-2-7(6-9(10)15)18-22(19,20)11-5-3-8(14)12(16)13(11)17/h2-6,18H,1H3
InChIKeyAYUOWVFSPKPEMA-UHFFFAOYSA-N
MW335.28 g/mol
LogP3.05
Rot. Bonds4

About 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide

2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide (PubChem CID 12016875) has the molecular formula C13H9F4NO3S and a molecular weight of 335.28 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
PubChem CID12016875
Molecular FormulaC13H9F4NO3S
Molecular Weight335.28 g/mol
Exact Mass335.02
IUPAC Name2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1F
InChIInChI=1S/C13H9F4NO3S/c1-21-10-4-2-7(6-9(10)15)18-22(19,20)11-5-3-8(14)12(16)13(11)17/h2-6,18H,1H3
InChIKeyAYUOWVFSPKPEMA-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3778972
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
methyl 3-[(3,4-dimethoxyphenyl)sulfamoyl]-4-fluorobenzoate
CID 47946553
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 155578468
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide (CID 12016875) is 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1F.
What is the InChIKey of 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is AYUOWVFSPKPEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO3S/c1-21-10-4-2-7(6-9(10)15)18-22(19,20)11-5-3-8(14)12(16)13(11)17/h2-6,18H,1H3.
What are the key properties of 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide?
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide has a molecular weight of 335.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 12016875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).