11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide

C13H11N3O2S — CID 146240701

IUPAC11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide
SMILESNS(=O)(=O)C1=CC=C2C=NC=c3ccncc3=C2C1
InChIInChI=1S/C13H11N3O2S/c14-19(17,18)11-2-1-9-6-16-7-10-3-4-15-8-13(10)12(9)5-11/h1-4,6-8H,5H2,(H2,14,17,18)
InChIKeyQDPFDIGKWDQCSG-UHFFFAOYSA-N
MW273.32 g/mol
LogP-0.44
Rot. Bonds1

About 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide

11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide (PubChem CID 146240701) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide.

Molecular Properties

Compound Name11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide
PubChem CID146240701
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide
SMILESNS(=O)(=O)C1=CC=C2C=NC=c3ccncc3=C2C1
InChIInChI=1S/C13H11N3O2S/c14-19(17,18)11-2-1-9-6-16-7-10-3-4-15-8-13(10)12(9)5-11/h1-4,6-8H,5H2,(H2,14,17,18)
InChIKeyQDPFDIGKWDQCSG-UHFFFAOYSA-N
XLogP-0.44
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide 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 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide?
The IUPAC name of 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide (CID 146240701) is 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide.
What is the SMILES notation for 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide?
The canonical SMILES for 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide is NS(=O)(=O)C1=CC=C2C=NC=c3ccncc3=C2C1.
What is the InChIKey of 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide?
The InChIKey is QDPFDIGKWDQCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-19(17,18)11-2-1-9-6-16-7-10-3-4-15-8-13(10)12(9)5-11/h1-4,6-8H,5H2,(H2,14,17,18).
What are the key properties of 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide?
11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-pyrido[4,3-d][2]benzazepine-10-sulfonamide is sourced from PubChem (CID 146240701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).