1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride

C12H14ClNO3S — CID 102533920

IUPAC1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc2c1N(C)C(=O)C2(C)C
InChIInChI=1S/C12H14ClNO3S/c1-7-5-8(18(13,16)17)6-9-10(7)14(4)11(15)12(9,2)3/h5-6H,1-4H3
InChIKeyPGYGONAAWUTVDN-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.18
Rot. Bonds1

About 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride

1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride (PubChem CID 102533920) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride.

Molecular Properties

Compound Name1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride
PubChem CID102533920
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc2c1N(C)C(=O)C2(C)C
InChIInChI=1S/C12H14ClNO3S/c1-7-5-8(18(13,16)17)6-9-10(7)14(4)11(15)12(9,2)3/h5-6H,1-4H3
InChIKeyPGYGONAAWUTVDN-UHFFFAOYSA-N
XLogP2.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride?
The IUPAC name of 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride (CID 102533920) is 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride.
What is the SMILES notation for 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride?
The canonical SMILES for 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride is Cc1cc(S(=O)(=O)Cl)cc2c1N(C)C(=O)C2(C)C.
What is the InChIKey of 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride?
The InChIKey is PGYGONAAWUTVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-7-5-8(18(13,16)17)6-9-10(7)14(4)11(15)12(9,2)3/h5-6H,1-4H3.
What are the key properties of 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride?
1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride has a molecular weight of 287.77 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride is sourced from PubChem (CID 102533920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).