1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride

C15H12ClNO4S2 — CID 156572550

IUPAC1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride
SMILESCOc1ccc2c(S(=O)(=O)Cl)cn(S(=O)c3ccccc3)c2c1
InChIInChI=1S/C15H12ClNO4S2/c1-21-11-7-8-13-14(9-11)17(10-15(13)23(16,19)20)22(18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVZDAPYGKQVCICX-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.15
Rot. Bonds4

About 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride

1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride (PubChem CID 156572550) has the molecular formula C15H12ClNO4S2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride
PubChem CID156572550
Molecular FormulaC15H12ClNO4S2
Molecular Weight369.85 g/mol
Exact Mass368.99
IUPAC Name1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride
SMILESCOc1ccc2c(S(=O)(=O)Cl)cn(S(=O)c3ccccc3)c2c1
InChIInChI=1S/C15H12ClNO4S2/c1-21-11-7-8-13-14(9-11)17(10-15(13)23(16,19)20)22(18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVZDAPYGKQVCICX-UHFFFAOYSA-N
XLogP3.15
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride?
The IUPAC name of 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride (CID 156572550) is 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride.
What is the SMILES notation for 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride?
The canonical SMILES for 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride is COc1ccc2c(S(=O)(=O)Cl)cn(S(=O)c3ccccc3)c2c1.
What is the InChIKey of 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride?
The InChIKey is VZDAPYGKQVCICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4S2/c1-21-11-7-8-13-14(9-11)17(10-15(13)23(16,19)20)22(18)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride?
1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride has a molecular weight of 369.85 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride is sourced from PubChem (CID 156572550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).