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

C18H17F6NO4S — CID 22203492

IUPACN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F6NO4S/c1-2-12-3-5-16(6-4-12)30(26,27)25-13-7-14(28-10-17(19,20)21)9-15(8-13)29-11-18(22,23)24/h3-9,25H,2,10-11H2,1H3
InChIKeyYIDBOEFKVMXQPC-UHFFFAOYSA-N
MW457.39 g/mol
LogP4.93
Rot. Bonds8

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

N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide (PubChem CID 22203492) has the molecular formula C18H17F6NO4S and a molecular weight of 457.39 g/mol. Its IUPAC name is N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide
PubChem CID22203492
Molecular FormulaC18H17F6NO4S
Molecular Weight457.39 g/mol
Exact Mass457.08
IUPAC NameN-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F6NO4S/c1-2-12-3-5-16(6-4-12)30(26,27)25-13-7-14(28-10-17(19,20)21)9-15(8-13)29-11-18(22,23)24/h3-9,25H,2,10-11H2,1H3
InChIKeyYIDBOEFKVMXQPC-UHFFFAOYSA-N
XLogP4.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 22203485
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 22203437
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-2,4,5-trichlorobenzenesulfonamide
CID 22203529
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
3-tert-butyl-N-[4-[[3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)phenyl]methylsulfanyl]phenyl]benzenesulfonamide
CID 71618307
4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3503977
N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 51125858
N-[3,5-bis(trifluoromethyl)phenyl]-4-butylbenzenesulfonamide
CID 22775272

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide (CID 22203492) is N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide is CCc1ccc(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-ethylbenzenesulfonamide?
The InChIKey is YIDBOEFKVMXQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NO4S/c1-2-12-3-5-16(6-4-12)30(26,27)25-13-7-14(28-10-17(19,20)21)9-15(8-13)29-11-18(22,23)24/h3-9,25H,2,10-11H2,1H3.
What are the key properties of N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide?
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide has a molecular weight of 457.39 g/mol, XLogP of 4.93, 8 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-ethylbenzenesulfonamide is sourced from PubChem (CID 22203492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).