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

C10H10ClNO3S — CID 19780718

IUPAC3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H10ClNO3S/c1-10(2)7-5-6(16(11,14)15)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKeyZSQGKDCXTIYZSF-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.84
Rot. Bonds1

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

3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride (PubChem CID 19780718) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride
PubChem CID19780718
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H10ClNO3S/c1-10(2)7-5-6(16(11,14)15)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKeyZSQGKDCXTIYZSF-UHFFFAOYSA-N
XLogP1.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride?
The IUPAC name of 3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride (CID 19780718) is 3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride.
What is the SMILES notation for 3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride?
The canonical SMILES for 3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride is CC1(C)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride?
The InChIKey is ZSQGKDCXTIYZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-10(2)7-5-6(16(11,14)15)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride?
3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride has a molecular weight of 259.71 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride is sourced from PubChem (CID 19780718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).