1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol

C15H16N2O3S — CID 114337506

IUPAC1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESO=S(=O)(c1cccnc1)N1CCCC(O)c2ccccc21
InChIInChI=1S/C15H16N2O3S/c18-15-8-4-10-17(14-7-2-1-6-13(14)15)21(19,20)12-5-3-9-16-11-12/h1-3,5-7,9,11,15,18H,4,8,10H2
InChIKeyADRWASNNCWNSDM-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.10
Rot. Bonds2

About 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol

1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol (PubChem CID 114337506) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
PubChem CID114337506
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESO=S(=O)(c1cccnc1)N1CCCC(O)c2ccccc21
InChIInChI=1S/C15H16N2O3S/c18-15-8-4-10-17(14-7-2-1-6-13(14)15)21(19,20)12-5-3-9-16-11-12/h1-3,5-7,9,11,15,18H,4,8,10H2
InChIKeyADRWASNNCWNSDM-UHFFFAOYSA-N
XLogP2.10
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol with MolForge

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

Launch Full Analysis

Related Compounds

(5S)-1-(4-methylsulfanylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 97352542
1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104538378
5-pyridin-3-ylsulfonyl-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepine
CID 84595628
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
CID 110636873
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
methyl 2-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)sulfonyl]propanoate
CID 114337510
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
CID 71978636
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
(4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99798837
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The IUPAC name of 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol (CID 114337506) is 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol.
What is the SMILES notation for 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The canonical SMILES for 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol is O=S(=O)(c1cccnc1)N1CCCC(O)c2ccccc21.
What is the InChIKey of 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The InChIKey is ADRWASNNCWNSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-15-8-4-10-17(14-7-2-1-6-13(14)15)21(19,20)12-5-3-9-16-11-12/h1-3,5-7,9,11,15,18H,4,8,10H2.
What are the key properties of 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol has a molecular weight of 304.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol is sourced from PubChem (CID 114337506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).