6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide

C15H14BrFN2O2S — CID 86019801

IUPAC6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1cc(Br)cc2c1NCCC2
InChIInChI=1S/C15H14BrFN2O2S/c16-11-7-10-3-2-6-18-15(10)14(8-11)22(20,21)19-13-5-1-4-12(17)9-13/h1,4-5,7-9,18-19H,2-3,6H2
InChIKeyLERSBXYAYPNDSL-UHFFFAOYSA-N
MW385.26 g/mol
LogP3.75
Rot. Bonds3

About 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide

6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide (PubChem CID 86019801) has the molecular formula C15H14BrFN2O2S and a molecular weight of 385.26 g/mol. Its IUPAC name is 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide
PubChem CID86019801
Molecular FormulaC15H14BrFN2O2S
Molecular Weight385.26 g/mol
Exact Mass383.99
IUPAC Name6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1cc(Br)cc2c1NCCC2
InChIInChI=1S/C15H14BrFN2O2S/c16-11-7-10-3-2-6-18-15(10)14(8-11)22(20,21)19-13-5-1-4-12(17)9-13/h1,4-5,7-9,18-19H,2-3,6H2
InChIKeyLERSBXYAYPNDSL-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
The IUPAC name of 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide (CID 86019801) is 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide.
What is the SMILES notation for 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
The canonical SMILES for 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide is O=S(=O)(Nc1cccc(F)c1)c1cc(Br)cc2c1NCCC2.
What is the InChIKey of 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
The InChIKey is LERSBXYAYPNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2S/c16-11-7-10-3-2-6-18-15(10)14(8-11)22(20,21)19-13-5-1-4-12(17)9-13/h1,4-5,7-9,18-19H,2-3,6H2.
What are the key properties of 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide?
6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide has a molecular weight of 385.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-8-sulfonamide is sourced from PubChem (CID 86019801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).