2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide

C17H19FN2O2S — CID 44573166

IUPAC2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
SMILESCN(c1ccc2c(c1)CCNCC2)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H19FN2O2S/c1-20(23(21,22)17-5-3-2-4-16(17)18)15-7-6-13-8-10-19-11-9-14(13)12-15/h2-7,12,19H,8-11H2,1H3
InChIKeyUGVGXZWJBFTKAP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.34
Rot. Bonds3

About 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide

2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide (PubChem CID 44573166) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
PubChem CID44573166
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
SMILESCN(c1ccc2c(c1)CCNCC2)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H19FN2O2S/c1-20(23(21,22)17-5-3-2-4-16(17)18)15-7-6-13-8-10-19-11-9-14(13)12-15/h2-7,12,19H,8-11H2,1H3
InChIKeyUGVGXZWJBFTKAP-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide (CID 44573166) is 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide is CN(c1ccc2c(c1)CCNCC2)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
The InChIKey is UGVGXZWJBFTKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-20(23(21,22)17-5-3-2-4-16(17)18)15-7-6-13-8-10-19-11-9-14(13)12-15/h2-7,12,19H,8-11H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide?
2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide is sourced from PubChem (CID 44573166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).