1-(4-bromophenyl)sulfonylazepine

C12H10BrNO2S — CID 564203

IUPAC1-(4-bromophenyl)sulfonylazepine
SMILESO=S(=O)(c1ccc(Br)cc1)N1C=CC=CC=C1
InChIInChI=1S/C12H10BrNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h1-10H
InChIKeyBFPNXVJVHFBCGA-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.04
Rot. Bonds2

About 1-(4-bromophenyl)sulfonylazepine

1-(4-bromophenyl)sulfonylazepine (PubChem CID 564203) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylazepine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylazepine
PubChem CID564203
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name1-(4-bromophenyl)sulfonylazepine
SMILESO=S(=O)(c1ccc(Br)cc1)N1C=CC=CC=C1
InChIInChI=1S/C12H10BrNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h1-10H
InChIKeyBFPNXVJVHFBCGA-UHFFFAOYSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)sulfonylazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonylazepine?
The IUPAC name of 1-(4-bromophenyl)sulfonylazepine (CID 564203) is 1-(4-bromophenyl)sulfonylazepine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylazepine?
The canonical SMILES for 1-(4-bromophenyl)sulfonylazepine is O=S(=O)(c1ccc(Br)cc1)N1C=CC=CC=C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonylazepine?
The InChIKey is BFPNXVJVHFBCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h1-10H.
What are the key properties of 1-(4-bromophenyl)sulfonylazepine?
1-(4-bromophenyl)sulfonylazepine has a molecular weight of 312.19 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylazepine is sourced from PubChem (CID 564203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).