1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride

C11H12ClNO3S — CID 6424802

IUPAC1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C11H12ClNO3S/c1-11(2)8-6-7(17(12,15)16)4-5-9(8)13(3)10(11)14/h4-6H,1-3H3
InChIKeyRTVDERAQXGLHFG-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.87
Rot. Bonds1

About 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride

1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride (PubChem CID 6424802) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride.

Molecular Properties

Compound Name1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride
PubChem CID6424802
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C11H12ClNO3S/c1-11(2)8-6-7(17(12,15)16)4-5-9(8)13(3)10(11)14/h4-6H,1-3H3
InChIKeyRTVDERAQXGLHFG-UHFFFAOYSA-N
XLogP1.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride?
The IUPAC name of 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride (CID 6424802) is 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride.
What is the SMILES notation for 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride?
The canonical SMILES for 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)Cl)ccc21.
What is the InChIKey of 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride?
The InChIKey is RTVDERAQXGLHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-11(2)8-6-7(17(12,15)16)4-5-9(8)13(3)10(11)14/h4-6H,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride?
1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride has a molecular weight of 273.74 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride is sourced from PubChem (CID 6424802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).