2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride

C10H8ClNO3S — CID 155094948

IUPAC2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride
SMILESO=C1CC=Cc2cc(S(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C10H8ClNO3S/c11-16(14,15)8-4-5-9-7(6-8)2-1-3-10(13)12-9/h1-2,4-6H,3H2,(H,12,13)
InChIKeyKRWACLQARFUYIR-UHFFFAOYSA-N
MW257.70 g/mol
LogP1.97
Rot. Bonds1

About 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride

2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride (PubChem CID 155094948) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride
PubChem CID155094948
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride
SMILESO=C1CC=Cc2cc(S(=O)(=O)Cl)ccc2N1
InChIInChI=1S/C10H8ClNO3S/c11-16(14,15)8-4-5-9-7(6-8)2-1-3-10(13)12-9/h1-2,4-6H,3H2,(H,12,13)
InChIKeyKRWACLQARFUYIR-UHFFFAOYSA-N
XLogP1.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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8-bromo-1,3-dihydro-1-benzazepin-2-one
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7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one
CID 19804193
6-chlorosulfonyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
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3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-6-sulfonyl chloride
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2-oxospiro[1H-indole-3,1'-cyclobutane]-5-sulfonyl chloride
CID 83853467
1,4-dihydroquinoxaline-6-sulfonyl chloride
CID 19958575
2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonyl chloride
CID 53212004
2-oxo-1,4-dihydro-3,1-benzoxazine-7-sulfonyl chloride
CID 84803405
3,4-dihydro-2H-1,4-benzothiazine-7-sulfonyl chloride
CID 141356128
thianthrene-2,8-disulfonyl chloride
CID 19906721
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride?
The IUPAC name of 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride (CID 155094948) is 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride.
What is the SMILES notation for 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride?
The canonical SMILES for 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride is O=C1CC=Cc2cc(S(=O)(=O)Cl)ccc2N1.
What is the InChIKey of 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride?
The InChIKey is KRWACLQARFUYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c11-16(14,15)8-4-5-9-7(6-8)2-1-3-10(13)12-9/h1-2,4-6H,3H2,(H,12,13).
What are the key properties of 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride?
2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride has a molecular weight of 257.70 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydro-1-benzazepine-7-sulfonyl chloride is sourced from PubChem (CID 155094948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).