5,6-difluoro-1H-indole-3-sulfinyl chloride

C8H4ClF2NOS — CID 135201076

IUPAC5,6-difluoro-1H-indole-3-sulfinyl chloride
SMILESO=S(Cl)c1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C8H4ClF2NOS/c9-14(13)8-3-12-7-2-6(11)5(10)1-4(7)8/h1-3,12H
InChIKeyPAOGHZUEYWQEME-UHFFFAOYSA-N
MW235.64 g/mol
LogP2.71
Rot. Bonds1

About 5,6-difluoro-1H-indole-3-sulfinyl chloride

5,6-difluoro-1H-indole-3-sulfinyl chloride (PubChem CID 135201076) has the molecular formula C8H4ClF2NOS and a molecular weight of 235.64 g/mol. Its IUPAC name is 5,6-difluoro-1H-indole-3-sulfinyl chloride.

Molecular Properties

Compound Name5,6-difluoro-1H-indole-3-sulfinyl chloride
PubChem CID135201076
Molecular FormulaC8H4ClF2NOS
Molecular Weight235.64 g/mol
Exact Mass234.97
IUPAC Name5,6-difluoro-1H-indole-3-sulfinyl chloride
SMILESO=S(Cl)c1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C8H4ClF2NOS/c9-14(13)8-3-12-7-2-6(11)5(10)1-4(7)8/h1-3,12H
InChIKeyPAOGHZUEYWQEME-UHFFFAOYSA-N
XLogP2.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5,6-difluoro-1H-indol-3-yl)azanium
CID 156720643
6-fluoro-1H-indole-3-sulfinate
CID 146256181
6-fluoro-1H-indole-3-sulfinic acid
CID 146256182
5,6-difluoro-3-(2-fluoroethyl)-1H-indole
CID 89153643
6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 7017062
1-(5,6-difluoro-1H-indol-3-yl)prop-2-yn-1-one
CID 162444599
3-(4-chlorobutyl)-5,6-difluoro-1H-indole
CID 19438843
1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide
CID 154653155
N-(5,6-difluoro-1H-indol-3-yl)octane-1-sulfinamide
CID 164554051
3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide
CID 155009388
5-chloro-6-fluoro-3-methyl-1H-indole
CID 118084325
3-bromo-5-chloro-6-fluoro-1H-indole
CID 84706657

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1H-indole-3-sulfinyl chloride?
The IUPAC name of 5,6-difluoro-1H-indole-3-sulfinyl chloride (CID 135201076) is 5,6-difluoro-1H-indole-3-sulfinyl chloride.
What is the SMILES notation for 5,6-difluoro-1H-indole-3-sulfinyl chloride?
The canonical SMILES for 5,6-difluoro-1H-indole-3-sulfinyl chloride is O=S(Cl)c1c[nH]c2cc(F)c(F)cc12.
What is the InChIKey of 5,6-difluoro-1H-indole-3-sulfinyl chloride?
The InChIKey is PAOGHZUEYWQEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2NOS/c9-14(13)8-3-12-7-2-6(11)5(10)1-4(7)8/h1-3,12H.
What are the key properties of 5,6-difluoro-1H-indole-3-sulfinyl chloride?
5,6-difluoro-1H-indole-3-sulfinyl chloride has a molecular weight of 235.64 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1H-indole-3-sulfinyl chloride is sourced from PubChem (CID 135201076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).