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

C18H12F12N2O4S2 — CID 2804037

IUPACN-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H12F12N2O4S2/c19-15(20,21)9-3-10(16(22,23)24)6-13(5-9)37(33,34)31-1-2-32-38(35,36)14-7-11(17(25,26)27)4-12(8-14)18(28,29)30/h3-8,31-32H,1-2H2
InChIKeyATZVCEOSVRNPTR-UHFFFAOYSA-N
MW612.41 g/mol
LogP5.02
Rot. Bonds7

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

N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 2804037) has the molecular formula C18H12F12N2O4S2 and a molecular weight of 612.41 g/mol. Its IUPAC name is N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID2804037
Molecular FormulaC18H12F12N2O4S2
Molecular Weight612.41 g/mol
Exact Mass612.00
IUPAC NameN-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H12F12N2O4S2/c19-15(20,21)9-3-10(16(22,23)24)6-13(5-9)37(33,34)31-1-2-32-38(35,36)14-7-11(17(25,26)27)4-12(8-14)18(28,29)30/h3-8,31-32H,1-2H2
InChIKeyATZVCEOSVRNPTR-UHFFFAOYSA-N
XLogP5.02
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.41
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 8716782
3-chloro-N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120708785
N-(3-aminopropyl)-3-bromo-5-(trifluoromethyl)benzenesulfonamide
CID 119962038
3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3471758
N-(2,2-dimethoxyethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3436267
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonamide;methanol
CID 171100231
3-chloro-N-[3-(methylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120707228
3,5-bis(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3552945
N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 42226776
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 30366380
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 2804037) is N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is ATZVCEOSVRNPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F12N2O4S2/c19-15(20,21)9-3-10(16(22,23)24)6-13(5-9)37(33,34)31-1-2-32-38(35,36)14-7-11(17(25,26)27)4-12(8-14)18(28,29)30/h3-8,31-32H,1-2H2.
What are the key properties of N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 612.41 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2804037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).