5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide

C10H12N2O3S — CID 114959228

IUPAC5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C10H12N2O3S/c11-16(14,15)12-7-3-6-10(13)8-4-1-2-5-9(8)12/h1-2,4-5H,3,6-7H2,(H2,11,14,15)
InChIKeyKYQAEFNIJOONHT-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.67
Rot. Bonds1

About 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide

5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide (PubChem CID 114959228) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide.

Molecular Properties

Compound Name5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
PubChem CID114959228
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C10H12N2O3S/c11-16(14,15)12-7-3-6-10(13)8-4-1-2-5-9(8)12/h1-2,4-5H,3,6-7H2,(H2,11,14,15)
InChIKeyKYQAEFNIJOONHT-UHFFFAOYSA-N
XLogP0.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114336702
N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114808679
1-butylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336701
1-(2-methylpyrazol-3-yl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336688
N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide
CID 110612616
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one
CID 110424808
1-(4-oxo-2,3-dihydroquinolin-1-yl)-2,3-dihydroquinolin-4-one
CID 66967300
1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide
CID 110612614
2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110424774
(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine
CID 114337141
(5Z)-5-hydroxyimino-N-methyl-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114337149

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The IUPAC name of 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide (CID 114959228) is 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide.
What is the SMILES notation for 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The canonical SMILES for 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide is NS(=O)(=O)N1CCCC(=O)c2ccccc21.
What is the InChIKey of 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
The InChIKey is KYQAEFNIJOONHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c11-16(14,15)12-7-3-6-10(13)8-4-1-2-5-9(8)12/h1-2,4-5H,3,6-7H2,(H2,11,14,15).
What are the key properties of 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide?
5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide has a molecular weight of 240.28 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide is sourced from PubChem (CID 114959228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).