2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol

C16H17NO3S — CID 81233802

IUPAC2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol
SMILESO=S(=O)(c1ccccc1O)N1CCCc2ccccc2C1
InChIInChI=1S/C16H17NO3S/c18-15-9-3-4-10-16(15)21(19,20)17-11-5-8-13-6-1-2-7-14(13)12-17/h1-4,6-7,9-10,18H,5,8,11-12H2
InChIKeySGJHMKLFBKMRPX-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.53
Rot. Bonds2

About 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol

2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol (PubChem CID 81233802) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol.

Molecular Properties

Compound Name2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol
PubChem CID81233802
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol
SMILESO=S(=O)(c1ccccc1O)N1CCCc2ccccc2C1
InChIInChI=1S/C16H17NO3S/c18-15-9-3-4-10-16(15)21(19,20)17-11-5-8-13-6-1-2-7-14(13)12-17/h1-4,6-7,9-10,18H,5,8,11-12H2
InChIKeySGJHMKLFBKMRPX-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol 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 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol?
The IUPAC name of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol (CID 81233802) is 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol.
What is the SMILES notation for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol?
The canonical SMILES for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol is O=S(=O)(c1ccccc1O)N1CCCc2ccccc2C1.
What is the InChIKey of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol?
The InChIKey is SGJHMKLFBKMRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-15-9-3-4-10-16(15)21(19,20)17-11-5-8-13-6-1-2-7-14(13)12-17/h1-4,6-7,9-10,18H,5,8,11-12H2.
What are the key properties of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol?
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol has a molecular weight of 303.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenol is sourced from PubChem (CID 81233802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).