8-sulfonyl-1-benzazepine

C10H7NO2S — CID 169137509

IUPAC8-sulfonyl-1-benzazepine
SMILESO=S(=O)=c1ccc2ccccnc-2c1
InChIInChI=1S/C10H7NO2S/c12-14(13)9-5-4-8-3-1-2-6-11-10(8)7-9/h1-7H
InChIKeyVDWVCUVCOILVBX-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.60
Rot. Bonds

About 8-sulfonyl-1-benzazepine

8-sulfonyl-1-benzazepine (PubChem CID 169137509) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 8-sulfonyl-1-benzazepine.

Molecular Properties

Compound Name8-sulfonyl-1-benzazepine
PubChem CID169137509
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name8-sulfonyl-1-benzazepine
SMILESO=S(=O)=c1ccc2ccccnc-2c1
InChIInChI=1S/C10H7NO2S/c12-14(13)9-5-4-8-3-1-2-6-11-10(8)7-9/h1-7H
InChIKeyVDWVCUVCOILVBX-UHFFFAOYSA-N
XLogP1.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-sulfonyl-1-benzazepine?
The IUPAC name of 8-sulfonyl-1-benzazepine (CID 169137509) is 8-sulfonyl-1-benzazepine.
What is the SMILES notation for 8-sulfonyl-1-benzazepine?
The canonical SMILES for 8-sulfonyl-1-benzazepine is O=S(=O)=c1ccc2ccccnc-2c1.
What is the InChIKey of 8-sulfonyl-1-benzazepine?
The InChIKey is VDWVCUVCOILVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-14(13)9-5-4-8-3-1-2-6-11-10(8)7-9/h1-7H.
What are the key properties of 8-sulfonyl-1-benzazepine?
8-sulfonyl-1-benzazepine has a molecular weight of 205.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-sulfonyl-1-benzazepine is sourced from PubChem (CID 169137509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).