2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine

C15H15FN2O2S — CID 103300054

IUPAC2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine
SMILESO=S(=O)(c1ncccc1F)N1CCCc2ccccc2C1
InChIInChI=1S/C15H15FN2O2S/c16-14-8-3-9-17-15(14)21(19,20)18-10-4-7-12-5-1-2-6-13(12)11-18/h1-3,5-6,8-9H,4,7,10-11H2
InChIKeyRQSDLNTYKWQZFT-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.36
Rot. Bonds2

About 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine

2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 103300054) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID103300054
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine
SMILESO=S(=O)(c1ncccc1F)N1CCCc2ccccc2C1
InChIInChI=1S/C15H15FN2O2S/c16-14-8-3-9-17-15(14)21(19,20)18-10-4-7-12-5-1-2-6-13(12)11-18/h1-3,5-6,8-9H,4,7,10-11H2
InChIKeyRQSDLNTYKWQZFT-UHFFFAOYSA-N
XLogP2.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine (CID 103300054) is 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine is O=S(=O)(c1ncccc1F)N1CCCc2ccccc2C1.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is RQSDLNTYKWQZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-14-8-3-9-17-15(14)21(19,20)18-10-4-7-12-5-1-2-6-13(12)11-18/h1-3,5-6,8-9H,4,7,10-11H2.
What are the key properties of 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine?
2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 306.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 103300054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).