6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide

C15H11NO2S — CID 138982392

IUPAC6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide
SMILESCn1c2c(c3ccccc31)-c1ccccc1S2(=O)=O
InChIInChI=1S/C15H11NO2S/c1-16-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)19(17,18)15(14)16/h2-9H,1H3
InChIKeyAHWDVHXZMVEAFU-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.99
Rot. Bonds

About 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide

6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide (PubChem CID 138982392) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide.

Molecular Properties

Compound Name6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide
PubChem CID138982392
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide
SMILESCn1c2c(c3ccccc31)-c1ccccc1S2(=O)=O
InChIInChI=1S/C15H11NO2S/c1-16-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)19(17,18)15(14)16/h2-9H,1H3
InChIKeyAHWDVHXZMVEAFU-UHFFFAOYSA-N
XLogP2.99
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide?
The IUPAC name of 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide (CID 138982392) is 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide.
What is the SMILES notation for 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide?
The canonical SMILES for 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide is Cn1c2c(c3ccccc31)-c1ccccc1S2(=O)=O.
What is the InChIKey of 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide?
The InChIKey is AHWDVHXZMVEAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-16-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)19(17,18)15(14)16/h2-9H,1H3.
What are the key properties of 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide?
6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide has a molecular weight of 269.32 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide is sourced from PubChem (CID 138982392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).