1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one

C14H15N3O3S — CID 114336688

IUPAC1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCn1nccc1S(=O)(=O)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C14H15N3O3S/c1-16-14(8-9-15-16)21(19,20)17-10-4-7-13(18)11-5-2-3-6-12(11)17/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyFKRCTOLGWINRSV-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.59
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one

1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114336688) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114336688
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCn1nccc1S(=O)(=O)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C14H15N3O3S/c1-16-14(8-9-15-16)21(19,20)17-10-4-7-13(18)11-5-2-3-6-12(11)17/h2-3,5-6,8-9H,4,7,10H2,1H3
InChIKeyFKRCTOLGWINRSV-UHFFFAOYSA-N
XLogP1.59
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one 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

5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114959228
N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114336702
1-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336551
1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline
CID 154738453
1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
CID 104709956
1-butylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336701
N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114808679
2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
CID 104709969
1-(2-methylpyrazol-3-yl)sulfonyl-1,4-diazepan-5-one
CID 113443979
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one
CID 110424808
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604092
1-(1,3-benzodioxol-5-ylsulfonyl)-2,3-dihydroquinolin-4-one
CID 110424789

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one (CID 114336688) is 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one is Cn1nccc1S(=O)(=O)N1CCCC(=O)c2ccccc21.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is FKRCTOLGWINRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-16-14(8-9-15-16)21(19,20)17-10-4-7-13(18)11-5-2-3-6-12(11)17/h2-3,5-6,8-9H,4,7,10H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one?
1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 305.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114336688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).