3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride

C8H4ClF2NO3S — CID 99979335

IUPAC3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride
SMILESO=C1Nc2ccc(S(=O)(=O)Cl)cc2C1(F)F
InChIInChI=1S/C8H4ClF2NO3S/c9-16(14,15)4-1-2-6-5(3-4)8(10,11)7(13)12-6/h1-3H,(H,12,13)
InChIKeyGYGJTKHITVYSIE-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.66
Rot. Bonds1

About 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride

3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride (PubChem CID 99979335) has the molecular formula C8H4ClF2NO3S and a molecular weight of 267.64 g/mol. Its IUPAC name is 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride.

Molecular Properties

Compound Name3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride
PubChem CID99979335
Molecular FormulaC8H4ClF2NO3S
Molecular Weight267.64 g/mol
Exact Mass266.96
IUPAC Name3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride
SMILESO=C1Nc2ccc(S(=O)(=O)Cl)cc2C1(F)F
InChIInChI=1S/C8H4ClF2NO3S/c9-16(14,15)4-1-2-6-5(3-4)8(10,11)7(13)12-6/h1-3H,(H,12,13)
InChIKeyGYGJTKHITVYSIE-UHFFFAOYSA-N
XLogP1.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride?
The IUPAC name of 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride (CID 99979335) is 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride.
What is the SMILES notation for 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride?
The canonical SMILES for 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride is O=C1Nc2ccc(S(=O)(=O)Cl)cc2C1(F)F.
What is the InChIKey of 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride?
The InChIKey is GYGJTKHITVYSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2NO3S/c9-16(14,15)4-1-2-6-5(3-4)8(10,11)7(13)12-6/h1-3H,(H,12,13).
What are the key properties of 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride?
3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride has a molecular weight of 267.64 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-oxo-1H-indole-5-sulfonyl chloride is sourced from PubChem (CID 99979335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).