7-chloro-6-fluoro-1H-indole-3-sulfinate

C8H4ClFNO2S- — CID 135201164

IUPAC7-chloro-6-fluoro-1H-indole-3-sulfinate
SMILESO=S([O-])c1c[nH]c2c(Cl)c(F)ccc12
InChIInChI=1S/C8H5ClFNO2S/c9-7-5(10)2-1-4-6(14(12)13)3-11-8(4)7/h1-3,11H,(H,12,13)/p-1
InChIKeyGSHBXXQJQGZEPL-UHFFFAOYSA-M
MW232.64 g/mol
LogP2.20
Rot. Bonds1

About 7-chloro-6-fluoro-1H-indole-3-sulfinate

7-chloro-6-fluoro-1H-indole-3-sulfinate (PubChem CID 135201164) has the molecular formula C8H4ClFNO2S- and a molecular weight of 232.64 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1H-indole-3-sulfinate.

Molecular Properties

Compound Name7-chloro-6-fluoro-1H-indole-3-sulfinate
PubChem CID135201164
Molecular FormulaC8H4ClFNO2S-
Molecular Weight232.64 g/mol
Exact Mass231.96
IUPAC Name7-chloro-6-fluoro-1H-indole-3-sulfinate
SMILESO=S([O-])c1c[nH]c2c(Cl)c(F)ccc12
InChIInChI=1S/C8H5ClFNO2S/c9-7-5(10)2-1-4-6(14(12)13)3-11-8(4)7/h1-3,11H,(H,12,13)/p-1
InChIKeyGSHBXXQJQGZEPL-UHFFFAOYSA-M
XLogP2.20
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

sodium 3-chloro-2,4-difluorobenzenesulfinate
CID 139606133
6-fluoro-1H-indole-3-sulfinate
CID 146256181
6-methylsulfanyl-1H-indole-3-sulfinate
CID 135201041
4-chloro-2-(4-fluorophenyl)benzenesulfinate
CID 174402834
(2R)-2-amino-3-(7-chloro-6-fluoro-1H-indol-3-yl)-N-methylpropanamide
CID 121401326
7-bromo-6-chloro-N-(4-chloro-2,5-difluorophenyl)-1H-indole-3-sulfinamide
CID 142393319
2,5-dichlorobenzenesulfinate
CID 5236909
sodium 6-nitro-1H-indole-3-sulfinate
CID 165450416
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403159
5-chloro-7-fluoro-3-iodo-1H-indole
CID 118882795
(3-chloro-4-fluorophenyl)methanesulfinate
CID 175536227
4-chloro-5-fluoro-1H-indole-3-carbonyl chloride
CID 139271421

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1H-indole-3-sulfinate?
The IUPAC name of 7-chloro-6-fluoro-1H-indole-3-sulfinate (CID 135201164) is 7-chloro-6-fluoro-1H-indole-3-sulfinate.
What is the SMILES notation for 7-chloro-6-fluoro-1H-indole-3-sulfinate?
The canonical SMILES for 7-chloro-6-fluoro-1H-indole-3-sulfinate is O=S([O-])c1c[nH]c2c(Cl)c(F)ccc12.
What is the InChIKey of 7-chloro-6-fluoro-1H-indole-3-sulfinate?
The InChIKey is GSHBXXQJQGZEPL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5ClFNO2S/c9-7-5(10)2-1-4-6(14(12)13)3-11-8(4)7/h1-3,11H,(H,12,13)/p-1.
What are the key properties of 7-chloro-6-fluoro-1H-indole-3-sulfinate?
7-chloro-6-fluoro-1H-indole-3-sulfinate has a molecular weight of 232.64 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1H-indole-3-sulfinate is sourced from PubChem (CID 135201164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).