N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide

C17H15F6NO4S — CID 22203485

IUPACN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F6NO4S/c1-11-2-4-15(5-3-11)29(25,26)24-12-6-13(27-9-16(18,19)20)8-14(7-12)28-10-17(21,22)23/h2-8,24H,9-10H2,1H3
InChIKeyUUBYLVAWFGXPEP-UHFFFAOYSA-N
MW443.37 g/mol
LogP4.68
Rot. Bonds7

About N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide

N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 22203485) has the molecular formula C17H15F6NO4S and a molecular weight of 443.37 g/mol. Its IUPAC name is N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID22203485
Molecular FormulaC17H15F6NO4S
Molecular Weight443.37 g/mol
Exact Mass443.06
IUPAC NameN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F6NO4S/c1-11-2-4-15(5-3-11)29(25,26)24-12-6-13(27-9-16(18,19)20)8-14(7-12)28-10-17(21,22)23/h2-8,24H,9-10H2,1H3
InChIKeyUUBYLVAWFGXPEP-UHFFFAOYSA-N
XLogP4.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide
CID 22203492
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 22203437
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-2,4,5-trichlorobenzenesulfonamide
CID 22203529
N-[4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 23134672
N-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370825
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 22203483
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60575252
N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 51125858
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010401
N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370854

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide (CID 22203485) is N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1.
What is the InChIKey of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is UUBYLVAWFGXPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO4S/c1-11-2-4-15(5-3-11)29(25,26)24-12-6-13(27-9-16(18,19)20)8-14(7-12)28-10-17(21,22)23/h2-8,24H,9-10H2,1H3.
What are the key properties of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide?
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 443.37 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 22203485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).