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

C18H26N2O3S — CID 20927826

IUPACN-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESO=C1CCCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2N1
InChIInChI=1S/C18H26N2O3S/c21-18-10-6-7-14-13-16(11-12-17(14)19-18)24(22,23)20-15-8-4-2-1-3-5-9-15/h11-13,15,20H,1-10H2,(H,19,21)
InChIKeyNBHCSKQTUUKTRO-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.35
Rot. Bonds3

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

N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (PubChem CID 20927826) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
PubChem CID20927826
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESO=C1CCCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2N1
InChIInChI=1S/C18H26N2O3S/c21-18-10-6-7-14-13-16(11-12-17(14)19-18)24(22,23)20-15-8-4-2-1-3-5-9-15/h11-13,15,20H,1-10H2,(H,19,21)
InChIKeyNBHCSKQTUUKTRO-UHFFFAOYSA-N
XLogP3.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702
N-(2-cyclopropylpyrimidin-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 166190507
N-(7-chloro-3,4-dihydro-2H-chromen-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 154850927
N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
CID 5115250
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
N-(2,6-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927828
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-cyclopropyl-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
CID 119055173
N-cyclopentyl-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 46271707
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
N-[4-(cyclohexylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112980793
N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 46282231

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The IUPAC name of N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (CID 20927826) is N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.
What is the SMILES notation for N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The canonical SMILES for N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is O=C1CCCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2N1.
What is the InChIKey of N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The InChIKey is NBHCSKQTUUKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18-10-6-7-14-13-16(11-12-17(14)19-18)24(22,23)20-15-8-4-2-1-3-5-9-15/h11-13,15,20H,1-10H2,(H,19,21).
What are the key properties of N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide has a molecular weight of 350.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 20927826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).