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

C10H9Cl2NO3S — CID 43165341

IUPAC7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
SMILESO=C1CCCc2cc(Cl)c(S(=O)(=O)Cl)cc2N1
InChIInChI=1S/C10H9Cl2NO3S/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)
InChIKeyIDHPASOHURRULY-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.54
Rot. Bonds1

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

7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride (PubChem CID 43165341) has the molecular formula C10H9Cl2NO3S and a molecular weight of 294.16 g/mol. Its IUPAC name is 7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride.

Molecular Properties

Compound Name7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
PubChem CID43165341
Molecular FormulaC10H9Cl2NO3S
Molecular Weight294.16 g/mol
Exact Mass292.97
IUPAC Name7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
SMILESO=C1CCCc2cc(Cl)c(S(=O)(=O)Cl)cc2N1
InChIInChI=1S/C10H9Cl2NO3S/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)
InChIKeyIDHPASOHURRULY-UHFFFAOYSA-N
XLogP2.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 115824459
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
8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139310481
7-sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165333
6-[(6-chloro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfonyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 167904573
7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 71755958
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-carbaldehyde
CID 23558916
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one
CID 71336504
6-chloro-7-(6-hydroxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 167988131
8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 57076404
9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 53359998

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride?
The IUPAC name of 7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride (CID 43165341) is 7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride.
What is the SMILES notation for 7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride?
The canonical SMILES for 7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride is O=C1CCCc2cc(Cl)c(S(=O)(=O)Cl)cc2N1.
What is the InChIKey of 7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride?
The InChIKey is IDHPASOHURRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3S/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-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride?
7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride has a molecular weight of 294.16 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride is sourced from PubChem (CID 43165341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).