2,3,3-trimethylindole-5-sulfonyl chloride

C11H12ClNO2S — CID 75481543

IUPAC2,3,3-trimethylindole-5-sulfonyl chloride
SMILESCC1=Nc2ccc(S(=O)(=O)Cl)cc2C1(C)C
InChIInChI=1S/C11H12ClNO2S/c1-7-11(2,3)9-6-8(16(12,14)15)4-5-10(9)13-7/h4-6H,1-3H3
InChIKeyVQSNLVAYNDFHID-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.00
Rot. Bonds1

About 2,3,3-trimethylindole-5-sulfonyl chloride

2,3,3-trimethylindole-5-sulfonyl chloride (PubChem CID 75481543) has the molecular formula C11H12ClNO2S and a molecular weight of 257.74 g/mol. Its IUPAC name is 2,3,3-trimethylindole-5-sulfonyl chloride.

Molecular Properties

Compound Name2,3,3-trimethylindole-5-sulfonyl chloride
PubChem CID75481543
Molecular FormulaC11H12ClNO2S
Molecular Weight257.74 g/mol
Exact Mass257.03
IUPAC Name2,3,3-trimethylindole-5-sulfonyl chloride
SMILESCC1=Nc2ccc(S(=O)(=O)Cl)cc2C1(C)C
InChIInChI=1S/C11H12ClNO2S/c1-7-11(2,3)9-6-8(16(12,14)15)4-5-10(9)13-7/h4-6H,1-3H3
InChIKeyVQSNLVAYNDFHID-UHFFFAOYSA-N
XLogP3.00
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylindole-5-sulfonyl chloride?
The IUPAC name of 2,3,3-trimethylindole-5-sulfonyl chloride (CID 75481543) is 2,3,3-trimethylindole-5-sulfonyl chloride.
What is the SMILES notation for 2,3,3-trimethylindole-5-sulfonyl chloride?
The canonical SMILES for 2,3,3-trimethylindole-5-sulfonyl chloride is CC1=Nc2ccc(S(=O)(=O)Cl)cc2C1(C)C.
What is the InChIKey of 2,3,3-trimethylindole-5-sulfonyl chloride?
The InChIKey is VQSNLVAYNDFHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2S/c1-7-11(2,3)9-6-8(16(12,14)15)4-5-10(9)13-7/h4-6H,1-3H3.
What are the key properties of 2,3,3-trimethylindole-5-sulfonyl chloride?
2,3,3-trimethylindole-5-sulfonyl chloride has a molecular weight of 257.74 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylindole-5-sulfonyl chloride is sourced from PubChem (CID 75481543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).