6H-1-benzazepine-7-sulfonyl fluoride

C10H8FNO2S — CID 150464806

IUPAC6H-1-benzazepine-7-sulfonyl fluoride
SMILESO=S(=O)(F)C1=CC=C2N=CC=CC=C2C1
InChIInChI=1S/C10H8FNO2S/c11-15(13,14)9-4-5-10-8(7-9)3-1-2-6-12-10/h1-6H,7H2
InChIKeyHQNUZOYGWCZOPP-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.02
Rot. Bonds1

About 6H-1-benzazepine-7-sulfonyl fluoride

6H-1-benzazepine-7-sulfonyl fluoride (PubChem CID 150464806) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 6H-1-benzazepine-7-sulfonyl fluoride.

Molecular Properties

Compound Name6H-1-benzazepine-7-sulfonyl fluoride
PubChem CID150464806
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name6H-1-benzazepine-7-sulfonyl fluoride
SMILESO=S(=O)(F)C1=CC=C2N=CC=CC=C2C1
InChIInChI=1S/C10H8FNO2S/c11-15(13,14)9-4-5-10-8(7-9)3-1-2-6-12-10/h1-6H,7H2
InChIKeyHQNUZOYGWCZOPP-UHFFFAOYSA-N
XLogP2.02
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-3-benzazepine-8-sulfonyl fluoride
CID 87964243
4-Fluoroindole-4-sulfinate
CID 175182514
4-Fluoroindole-4-sulfinic acid
CID 175182515
6H-1,4-benzodiazepine-5-sulfonamide
CID 67364284
6H-1-benzazepine-7-sulfonamide
CID 87410667
(1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide
CID 129043365
4H-indole-5-sulfonic acid
CID 141212952
4H-indole-5-sulfonamide
CID 141303895
9H-3-benzazepine-8-sulfonyl chloride
CID 152271204
6H-1-benzazepine-7-sulfonyl chloride
CID 153836566
(Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride
CID 167298111
8-Sulfonyl-1-benzazepine
CID 169137509

Frequently Asked Questions

What is the IUPAC name of 6H-1-benzazepine-7-sulfonyl fluoride?
The IUPAC name of 6H-1-benzazepine-7-sulfonyl fluoride (CID 150464806) is 6H-1-benzazepine-7-sulfonyl fluoride.
What is the SMILES notation for 6H-1-benzazepine-7-sulfonyl fluoride?
The canonical SMILES for 6H-1-benzazepine-7-sulfonyl fluoride is O=S(=O)(F)C1=CC=C2N=CC=CC=C2C1.
What is the InChIKey of 6H-1-benzazepine-7-sulfonyl fluoride?
The InChIKey is HQNUZOYGWCZOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-15(13,14)9-4-5-10-8(7-9)3-1-2-6-12-10/h1-6H,7H2.
What are the key properties of 6H-1-benzazepine-7-sulfonyl fluoride?
6H-1-benzazepine-7-sulfonyl fluoride has a molecular weight of 225.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-1-benzazepine-7-sulfonyl fluoride is sourced from PubChem (CID 150464806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).