N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide

C15H13F4NO3S — CID 24656665

IUPACN-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO3S/c1-10-2-5-12(6-3-10)24(21,22)20-13-8-11(16)4-7-14(13)23-9-15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyVJTJZBLHGQPPKT-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.88
Rot. Bonds5

About N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide

N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 24656665) has the molecular formula C15H13F4NO3S and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID24656665
Molecular FormulaC15H13F4NO3S
Molecular Weight363.33 g/mol
Exact Mass363.06
IUPAC NameN-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO3S/c1-10-2-5-12(6-3-10)24(21,22)20-13-8-11(16)4-7-14(13)23-9-15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyVJTJZBLHGQPPKT-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169371660
1-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24656677
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 22203485
N-[3-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-4-methylphenyl]acetamide
CID 24656690
4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 46535021
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60575252
4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide
CID 24633180
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-[4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 23134672
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide
CID 169225905
N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169373372

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide (CID 24656665) is N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1.
What is the InChIKey of N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is VJTJZBLHGQPPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3S/c1-10-2-5-12(6-3-10)24(21,22)20-13-8-11(16)4-7-14(13)23-9-15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide?
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 363.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24656665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).