7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

C13H14FN5O3S — CID 127767646

IUPAC7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCC(NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ncn[nH]1
InChIInChI=1S/C13H14FN5O3S/c1-7(13-15-6-16-18-13)19-23(21,22)11-4-8-2-3-12(20)17-10(8)5-9(11)14/h4-7,19H,2-3H2,1H3,(H,17,20)(H,15,16,18)
InChIKeyDZCGNJIMKBGGSB-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.87
Rot. Bonds4

About 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 127767646) has the molecular formula C13H14FN5O3S and a molecular weight of 339.35 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID127767646
Molecular FormulaC13H14FN5O3S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC Name7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCC(NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ncn[nH]1
InChIInChI=1S/C13H14FN5O3S/c1-7(13-15-6-16-18-13)19-23(21,22)11-4-8-2-3-12(20)17-10(8)5-9(11)14/h4-7,19H,2-3H2,1H3,(H,17,20)(H,15,16,18)
InChIKeyDZCGNJIMKBGGSB-UHFFFAOYSA-N
XLogP0.87
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 127767646) is 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide is CC(NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ncn[nH]1.
What is the InChIKey of 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is DZCGNJIMKBGGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O3S/c1-7(13-15-6-16-18-13)19-23(21,22)11-4-8-2-3-12(20)17-10(8)5-9(11)14/h4-7,19H,2-3H2,1H3,(H,17,20)(H,15,16,18).
What are the key properties of 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 339.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 127767646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).