6-chloro-7-methylsulfonyl-1H-indole

C9H8ClNO2S — CID 171619413

IUPAC6-chloro-7-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1c(Cl)ccc2cc[nH]c12
InChIInChI=1S/C9H8ClNO2S/c1-14(12,13)9-7(10)3-2-6-4-5-11-8(6)9/h2-5,11H,1H3
InChIKeyPXOXUOZWZIEWHL-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.22
Rot. Bonds1

About 6-chloro-7-methylsulfonyl-1H-indole

6-chloro-7-methylsulfonyl-1H-indole (PubChem CID 171619413) has the molecular formula C9H8ClNO2S and a molecular weight of 229.69 g/mol. Its IUPAC name is 6-chloro-7-methylsulfonyl-1H-indole.

Molecular Properties

Compound Name6-chloro-7-methylsulfonyl-1H-indole
PubChem CID171619413
Molecular FormulaC9H8ClNO2S
Molecular Weight229.69 g/mol
Exact Mass229.00
IUPAC Name6-chloro-7-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1c(Cl)ccc2cc[nH]c12
InChIInChI=1S/C9H8ClNO2S/c1-14(12,13)9-7(10)3-2-6-4-5-11-8(6)9/h2-5,11H,1H3
InChIKeyPXOXUOZWZIEWHL-UHFFFAOYSA-N
XLogP2.22
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methylsulfonyl-1H-indole?
The IUPAC name of 6-chloro-7-methylsulfonyl-1H-indole (CID 171619413) is 6-chloro-7-methylsulfonyl-1H-indole.
What is the SMILES notation for 6-chloro-7-methylsulfonyl-1H-indole?
The canonical SMILES for 6-chloro-7-methylsulfonyl-1H-indole is CS(=O)(=O)c1c(Cl)ccc2cc[nH]c12.
What is the InChIKey of 6-chloro-7-methylsulfonyl-1H-indole?
The InChIKey is PXOXUOZWZIEWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S/c1-14(12,13)9-7(10)3-2-6-4-5-11-8(6)9/h2-5,11H,1H3.
What are the key properties of 6-chloro-7-methylsulfonyl-1H-indole?
6-chloro-7-methylsulfonyl-1H-indole has a molecular weight of 229.69 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methylsulfonyl-1H-indole is sourced from PubChem (CID 171619413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).