2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

C13H18N2O3S — CID 45106789

IUPAC2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C13H18N2O3S/c1-2-8-14-19(17,18)11-6-7-12-10(9-11)4-3-5-13(16)15-12/h6-7,9,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyJCIIKLRILSTNAU-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.65
Rot. Bonds4

About 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (PubChem CID 45106789) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
PubChem CID45106789
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C13H18N2O3S/c1-2-8-14-19(17,18)11-6-7-12-10(9-11)4-3-5-13(16)15-12/h6-7,9,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyJCIIKLRILSTNAU-UHFFFAOYSA-N
XLogP1.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119964840
N-(3-aminopropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119962110
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 120664921
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
CID 119055173
2-oxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 120721593
N-(2,6-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927828
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335986
N-[2-(4-methylphenyl)ethyl]-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
CID 46282286
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106786
2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8843324
N-[2-[[(2R)-butan-2-yl]-(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92723797

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The IUPAC name of 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (CID 45106789) is 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.
What is the SMILES notation for 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The canonical SMILES for 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The InChIKey is JCIIKLRILSTNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-8-14-19(17,18)11-6-7-12-10(9-11)4-3-5-13(16)15-12/h6-7,9,14H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 45106789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).