N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

C15H13F4NO4S — CID 51125858

IUPACN-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc(OC)c1
InChIInChI=1S/C15H13F4NO4S/c1-23-10-5-9(6-11(7-10)24-2)20-25(21,22)12-3-4-14(16)13(8-12)15(17,18)19/h3-8,20H,1-2H3
InChIKeyYXJCFEAECJWFQL-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.66
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 51125858) has the molecular formula C15H13F4NO4S and a molecular weight of 379.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID51125858
Molecular FormulaC15H13F4NO4S
Molecular Weight379.33 g/mol
Exact Mass379.05
IUPAC NameN-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc(OC)c1
InChIInChI=1S/C15H13F4NO4S/c1-23-10-5-9(6-11(7-10)24-2)20-25(21,22)12-3-4-14(16)13(8-12)15(17,18)19/h3-8,20H,1-2H3
InChIKeyYXJCFEAECJWFQL-UHFFFAOYSA-N
XLogP3.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26970163
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321360
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (CID 51125858) is N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YXJCFEAECJWFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO4S/c1-23-10-5-9(6-11(7-10)24-2)20-25(21,22)12-3-4-14(16)13(8-12)15(17,18)19/h3-8,20H,1-2H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 379.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 51125858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).