N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide

C15H15FN2O2S — CID 57114498

IUPACN-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(F)c1cccc2c1NCCC2
InChIInChI=1S/C15H15FN2O2S/c16-18(21(19,20)13-8-2-1-3-9-13)14-10-4-6-12-7-5-11-17-15(12)14/h1-4,6,8-10,17H,5,7,11H2
InChIKeyKKNVNJYICJRTCU-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.12
Rot. Bonds3

About N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide

N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide (PubChem CID 57114498) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide
PubChem CID57114498
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(F)c1cccc2c1NCCC2
InChIInChI=1S/C15H15FN2O2S/c16-18(21(19,20)13-8-2-1-3-9-13)14-10-4-6-12-7-5-11-17-15(12)14/h1-4,6,8-10,17H,5,7,11H2
InChIKeyKKNVNJYICJRTCU-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide?
The IUPAC name of N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide (CID 57114498) is N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(F)c1cccc2c1NCCC2.
What is the InChIKey of N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide?
The InChIKey is KKNVNJYICJRTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-18(21(19,20)13-8-2-1-3-9-13)14-10-4-6-12-7-5-11-17-15(12)14/h1-4,6,8-10,17H,5,7,11H2.
What are the key properties of N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide?
N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 57114498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).