N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide

C15H14F2N2O2S — CID 86019800

IUPACN-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1cccc2c1NCCC2
InChIInChI=1S/C15H14F2N2O2S/c16-11-6-7-12(17)13(9-11)19-22(20,21)14-5-1-3-10-4-2-8-18-15(10)14/h1,3,5-7,9,18-19H,2,4,8H2
InChIKeyQHEKWKAQIJTNJY-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.12
Rot. Bonds3

About N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide

N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide (PubChem CID 86019800) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide
PubChem CID86019800
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC NameN-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1cccc2c1NCCC2
InChIInChI=1S/C15H14F2N2O2S/c16-11-6-7-12(17)13(9-11)19-22(20,21)14-5-1-3-10-4-2-8-18-15(10)14/h1,3,5-7,9,18-19H,2,4,8H2
InChIKeyQHEKWKAQIJTNJY-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide (CID 86019800) is N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide is O=S(=O)(Nc1cc(F)ccc1F)c1cccc2c1NCCC2.
What is the InChIKey of N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
The InChIKey is QHEKWKAQIJTNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c16-11-6-7-12(17)13(9-11)19-22(20,21)14-5-1-3-10-4-2-8-18-15(10)14/h1,3,5-7,9,18-19H,2,4,8H2.
What are the key properties of N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide has a molecular weight of 324.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide is sourced from PubChem (CID 86019800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).