N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide

C17H13F3N2O2S — CID 99801739

IUPACN-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide
SMILESO=S(=O)(c1cccc2ncccc12)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-12-6-8-13(9-7-12)22(11-17(19)20)25(23,24)16-5-1-4-15-14(16)3-2-10-21-15/h1-10,17H,11H2
InChIKeyORUYNLGHXMVZBD-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.83
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide

N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide (PubChem CID 99801739) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide
PubChem CID99801739
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide
SMILESO=S(=O)(c1cccc2ncccc12)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-12-6-8-13(9-7-12)22(11-17(19)20)25(23,24)16-5-1-4-15-14(16)3-2-10-21-15/h1-10,17H,11H2
InChIKeyORUYNLGHXMVZBD-UHFFFAOYSA-N
XLogP3.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide (CID 99801739) is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide is O=S(=O)(c1cccc2ncccc12)N(CC(F)F)c1ccc(F)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide?
The InChIKey is ORUYNLGHXMVZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-12-6-8-13(9-7-12)22(11-17(19)20)25(23,24)16-5-1-4-15-14(16)3-2-10-21-15/h1-10,17H,11H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide?
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide has a molecular weight of 366.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide is sourced from PubChem (CID 99801739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).