2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride

C11H6ClNO3S — CID 3138191

IUPAC2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride
SMILESO=C1Nc2ccc(S(=O)(=O)Cl)c3cccc1c23
InChIInChI=1S/C11H6ClNO3S/c12-17(15,16)9-5-4-8-10-6(9)2-1-3-7(10)11(14)13-8/h1-5H,(H,13,14)
InChIKeyHBGOGAFJKXIXKJ-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.33
Rot. Bonds1

About 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride

2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride (PubChem CID 3138191) has the molecular formula C11H6ClNO3S and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride
PubChem CID3138191
Molecular FormulaC11H6ClNO3S
Molecular Weight267.69 g/mol
Exact Mass266.98
IUPAC Name2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride
SMILESO=C1Nc2ccc(S(=O)(=O)Cl)c3cccc1c23
InChIInChI=1S/C11H6ClNO3S/c12-17(15,16)9-5-4-8-10-6(9)2-1-3-7(10)11(14)13-8/h1-5H,(H,13,14)
InChIKeyHBGOGAFJKXIXKJ-UHFFFAOYSA-N
XLogP2.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride?
The IUPAC name of 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride (CID 3138191) is 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride.
What is the SMILES notation for 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride?
The canonical SMILES for 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride is O=C1Nc2ccc(S(=O)(=O)Cl)c3cccc1c23.
What is the InChIKey of 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride?
The InChIKey is HBGOGAFJKXIXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO3S/c12-17(15,16)9-5-4-8-10-6(9)2-1-3-7(10)11(14)13-8/h1-5H,(H,13,14).
What are the key properties of 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride?
2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride has a molecular weight of 267.69 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride is sourced from PubChem (CID 3138191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).