N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide

C14H12F3NO4S — CID 2621668

IUPACN-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c(OC)c1
InChIInChI=1S/C14H12F3NO4S/c1-21-8-3-5-10(11(7-8)22-2)18-23(19,20)12-6-4-9(15)13(16)14(12)17/h3-7,18H,1-2H3
InChIKeyGFFXENLTIVHHSG-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.92
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide

N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide (PubChem CID 2621668) has the molecular formula C14H12F3NO4S and a molecular weight of 347.31 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
PubChem CID2621668
Molecular FormulaC14H12F3NO4S
Molecular Weight347.31 g/mol
Exact Mass347.04
IUPAC NameN-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c(OC)c1
InChIInChI=1S/C14H12F3NO4S/c1-21-8-3-5-10(11(7-8)22-2)18-23(19,20)12-6-4-9(15)13(16)14(12)17/h3-7,18H,1-2H3
InChIKeyGFFXENLTIVHHSG-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518
4-methoxy-2-nitro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 18148007
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3778972
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627
N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
CID 167870592

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide (CID 2621668) is N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is GFFXENLTIVHHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S/c1-21-8-3-5-10(11(7-8)22-2)18-23(19,20)12-6-4-9(15)13(16)14(12)17/h3-7,18H,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide?
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 347.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 2621668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).