N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide

C18H11F12NO4S — CID 3751646

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C18H11F12NO4S/c19-15(20,21)7-34-12-1-2-13(35-8-16(22,23)24)14(6-12)36(32,33)31-11-4-9(17(25,26)27)3-10(5-11)18(28,29)30/h1-6,31H,7-8H2
InChIKeyHLPWGCBWAFJARA-UHFFFAOYSA-N
MW565.33 g/mol
LogP6.41
Rot. Bonds7

About N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide

N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 3751646) has the molecular formula C18H11F12NO4S and a molecular weight of 565.33 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID3751646
Molecular FormulaC18H11F12NO4S
Molecular Weight565.33 g/mol
Exact Mass565.02
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C18H11F12NO4S/c19-15(20,21)7-34-12-1-2-13(35-8-16(22,23)24)14(6-12)36(32,33)31-11-4-9(17(25,26)27)3-10(5-11)18(28,29)30/h1-6,31H,7-8H2
InChIKeyHLPWGCBWAFJARA-UHFFFAOYSA-N
XLogP6.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.33
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)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

2,5-bis(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3863989
N-(2-bromo-4-fluorophenyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 3738107
N-[4-(diethoxyphosphorylmethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 3870578
N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 141068066
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
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]sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
CID 4583981
2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
CID 56684295
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 22203485
1-bromo-N-[4-(2,2,2-trifluoroethoxy)phenyl]methanesulfonamide
CID 83084147
N-[3,5-bis(trifluoromethyl)phenyl]-2-(sulfanylmethyl)thiophene-3-sulfonamide
CID 20624333
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide
CID 22203492

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 3751646) is N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is HLPWGCBWAFJARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F12NO4S/c19-15(20,21)7-34-12-1-2-13(35-8-16(22,23)24)14(6-12)36(32,33)31-11-4-9(17(25,26)27)3-10(5-11)18(28,29)30/h1-6,31H,7-8H2.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 565.33 g/mol, XLogP of 6.41, 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(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 3751646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).