2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide

C14H9F6NO3S — CID 3778972

IUPAC2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1C(F)(F)F
InChIInChI=1S/C14H9F6NO3S/c1-24-10-4-2-7(6-8(10)14(18,19)20)21-25(22,23)11-5-3-9(15)12(16)13(11)17/h2-6,21H,1H3
InChIKeyVVVSXBPJOLKXIT-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.93
Rot. Bonds4

About 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide

2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3778972) has the molecular formula C14H9F6NO3S and a molecular weight of 385.29 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3778972
Molecular FormulaC14H9F6NO3S
Molecular Weight385.29 g/mol
Exact Mass385.02
IUPAC Name2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1C(F)(F)F
InChIInChI=1S/C14H9F6NO3S/c1-24-10-4-2-7(6-8(10)14(18,19)20)21-25(22,23)11-5-3-9(15)12(16)13(11)17/h2-6,21H,1H3
InChIKeyVVVSXBPJOLKXIT-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 126190415
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
CID 3374845
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3778972) is 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1C(F)(F)F.
What is the InChIKey of 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is VVVSXBPJOLKXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO3S/c1-24-10-4-2-7(6-8(10)14(18,19)20)21-25(22,23)11-5-3-9(15)12(16)13(11)17/h2-6,21H,1H3.
What are the key properties of 2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide?
2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 385.29 g/mol, XLogP of 3.93, 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-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3778972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).