N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide

C15H6F11NO2S — CID 3862785

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H6F11NO2S/c16-8-9(17)11(19)13(12(20)10(8)18)30(28,29)27-4-5-1-6(14(21,22)23)3-7(2-5)15(24,25)26/h1-3,27H,4H2
InChIKeyLDHXMTZXRXJVLK-UHFFFAOYSA-N
MW473.26 g/mol
LogP4.90
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide (PubChem CID 3862785) has the molecular formula C15H6F11NO2S and a molecular weight of 473.26 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
PubChem CID3862785
Molecular FormulaC15H6F11NO2S
Molecular Weight473.26 g/mol
Exact Mass472.99
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H6F11NO2S/c16-8-9(17)11(19)13(12(20)10(8)18)30(28,29)27-4-5-1-6(14(21,22)23)3-7(2-5)15(24,25)26/h1-3,27H,4H2
InChIKeyLDHXMTZXRXJVLK-UHFFFAOYSA-N
XLogP4.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide 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

2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 4994552
3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3471758
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 3271736
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3867018
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
5-bromo-6-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine-3-sulfonamide
CID 3535479
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2804037
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
2,3,4,5,6-pentafluoro-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 3813246
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 43455863
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide (CID 3862785) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide is O=S(=O)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
The InChIKey is LDHXMTZXRXJVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F11NO2S/c16-8-9(17)11(19)13(12(20)10(8)18)30(28,29)27-4-5-1-6(14(21,22)23)3-7(2-5)15(24,25)26/h1-3,27H,4H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide has a molecular weight of 473.26 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide is sourced from PubChem (CID 3862785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).