(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide

C13H19N3O3S — CID 114809011

IUPAC(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C13H19N3O3S/c1-10(2)15-20(18,19)16-9-5-7-12(14-17)11-6-3-4-8-13(11)16/h3-4,6,8,10,15,17H,5,7,9H2,1-2H3/b14-12-
InChIKeyWUIGLDPITUZNPZ-OWBHPGMISA-N
MW297.38 g/mol
LogP1.71
Rot. Bonds3

About (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide

(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide (PubChem CID 114809011) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide.

Molecular Properties

Compound Name(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
PubChem CID114809011
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C13H19N3O3S/c1-10(2)15-20(18,19)16-9-5-7-12(14-17)11-6-3-4-8-13(11)16/h3-4,6,8,10,15,17H,5,7,9H2,1-2H3/b14-12-
InChIKeyWUIGLDPITUZNPZ-OWBHPGMISA-N
XLogP1.71
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide 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

(5Z)-5-hydroxyimino-N-methyl-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114337149
(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine
CID 114337141
(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide
CID 114809006
(4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide
CID 114809007
methyl (5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepine-1-carboxylate
CID 114337121
3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114337171
N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337162
2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]butanamide
CID 114337268
N-tert-butyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337164
N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033494
[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(5-methylfuran-2-yl)methanone
CID 114337091
N-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-imine
CID 10520340

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The IUPAC name of (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide (CID 114809011) is (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide.
What is the SMILES notation for (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The canonical SMILES for (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC/C(=N/O)c2ccccc21.
What is the InChIKey of (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The InChIKey is WUIGLDPITUZNPZ-OWBHPGMISA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10(2)15-20(18,19)16-9-5-7-12(14-17)11-6-3-4-8-13(11)16/h3-4,6,8,10,15,17H,5,7,9H2,1-2H3/b14-12-.
What are the key properties of (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide is sourced from PubChem (CID 114809011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).