7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride

C10H9BrClNO3S — CID 115824459

IUPAC7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
SMILESO=C1CCCc2cc(Br)c(S(=O)(=O)Cl)cc2N1
InChIInChI=1S/C10H9BrClNO3S/c11-7-4-6-2-1-3-10(14)13-8(6)5-9(7)17(12,15)16/h4-5H,1-3H2,(H,13,14)
InChIKeyYSSCRYLPRSYYND-UHFFFAOYSA-N
MW338.61 g/mol
LogP2.65
Rot. Bonds1

About 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride

7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride (PubChem CID 115824459) has the molecular formula C10H9BrClNO3S and a molecular weight of 338.61 g/mol. Its IUPAC name is 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride.

Molecular Properties

Compound Name7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
PubChem CID115824459
Molecular FormulaC10H9BrClNO3S
Molecular Weight338.61 g/mol
Exact Mass336.92
IUPAC Name7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
SMILESO=C1CCCc2cc(Br)c(S(=O)(=O)Cl)cc2N1
InChIInChI=1S/C10H9BrClNO3S/c11-7-4-6-2-1-3-10(14)13-8(6)5-9(7)17(12,15)16/h4-5H,1-3H2,(H,13,14)
InChIKeyYSSCRYLPRSYYND-UHFFFAOYSA-N
XLogP2.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.61
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 43165341
8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139310481
6-bromo-7-(1,4-diazepan-1-ylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 119963511
6-bromo-7-piperazin-1-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119961805
6-bromo-3-oxo-4H-1,4-benzoxazine-7-sulfonyl chloride
CID 42956278
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 86962368
6-bromo-7-[(3S)-3-methylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 124695223
6-bromo-7-(3-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119982184
6-bromo-N-[(2R)-2-(ethylamino)propyl]-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonamide
CID 120665078
7-chloro-N-[2-(hydroxymethyl)-3-tricyclo[2.2.1.02,6]heptanyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonamide
CID 166315260
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride?
The IUPAC name of 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride (CID 115824459) is 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride.
What is the SMILES notation for 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride?
The canonical SMILES for 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride is O=C1CCCc2cc(Br)c(S(=O)(=O)Cl)cc2N1.
What is the InChIKey of 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride?
The InChIKey is YSSCRYLPRSYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO3S/c11-7-4-6-2-1-3-10(14)13-8(6)5-9(7)17(12,15)16/h4-5H,1-3H2,(H,13,14).
What are the key properties of 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride?
7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride has a molecular weight of 338.61 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride is sourced from PubChem (CID 115824459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).