2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide

C15H15FN2O2S — CID 62632226

IUPAC2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCCN2)c1ccccc1F
InChIInChI=1S/C15H15FN2O2S/c16-13-5-1-2-6-15(13)21(19,20)18-12-7-8-14-11(10-12)4-3-9-17-14/h1-2,5-8,10,17-18H,3-4,9H2
InChIKeyCYOUJNFFVBIZSI-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.98
Rot. Bonds3

About 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide

2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide (PubChem CID 62632226) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
PubChem CID62632226
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCCN2)c1ccccc1F
InChIInChI=1S/C15H15FN2O2S/c16-13-5-1-2-6-15(13)21(19,20)18-12-7-8-14-11(10-12)4-3-9-17-14/h1-2,5-8,10,17-18H,3-4,9H2
InChIKeyCYOUJNFFVBIZSI-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
2-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 41342532
2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 63928946
2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604300
5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide
CID 106272829
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide
CID 43604283
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517968
N-(9H-fluoren-3-yl)-2-fluorobenzenesulfonamide
CID 8516716
2-fluoro-N-(1H-indol-6-yl)benzenesulfonamide
CID 71954733
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 60824049
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 43604252

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide (CID 62632226) is 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)CCCN2)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide?
The InChIKey is CYOUJNFFVBIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-13-5-1-2-6-15(13)21(19,20)18-12-7-8-14-11(10-12)4-3-9-17-14/h1-2,5-8,10,17-18H,3-4,9H2.
What are the key properties of 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide?
2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 62632226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).