2-(1-methylindol-7-yl)ethanesulfonyl chloride

C11H12ClNO2S — CID 84709242

IUPAC2-(1-methylindol-7-yl)ethanesulfonyl chloride
SMILESCn1ccc2cccc(CCS(=O)(=O)Cl)c21
InChIInChI=1S/C11H12ClNO2S/c1-13-7-5-9-3-2-4-10(11(9)13)6-8-16(12,14)15/h2-5,7H,6,8H2,1H3
InChIKeyITCDNOXISMYWQZ-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.29
Rot. Bonds3

About 2-(1-methylindol-7-yl)ethanesulfonyl chloride

2-(1-methylindol-7-yl)ethanesulfonyl chloride (PubChem CID 84709242) has the molecular formula C11H12ClNO2S and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(1-methylindol-7-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(1-methylindol-7-yl)ethanesulfonyl chloride
PubChem CID84709242
Molecular FormulaC11H12ClNO2S
Molecular Weight257.74 g/mol
Exact Mass257.03
IUPAC Name2-(1-methylindol-7-yl)ethanesulfonyl chloride
SMILESCn1ccc2cccc(CCS(=O)(=O)Cl)c21
InChIInChI=1S/C11H12ClNO2S/c1-13-7-5-9-3-2-4-10(11(9)13)6-8-16(12,14)15/h2-5,7H,6,8H2,1H3
InChIKeyITCDNOXISMYWQZ-UHFFFAOYSA-N
XLogP2.29
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-7-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(1-methylindol-7-yl)ethanesulfonyl chloride (CID 84709242) is 2-(1-methylindol-7-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(1-methylindol-7-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(1-methylindol-7-yl)ethanesulfonyl chloride is Cn1ccc2cccc(CCS(=O)(=O)Cl)c21.
What is the InChIKey of 2-(1-methylindol-7-yl)ethanesulfonyl chloride?
The InChIKey is ITCDNOXISMYWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2S/c1-13-7-5-9-3-2-4-10(11(9)13)6-8-16(12,14)15/h2-5,7H,6,8H2,1H3.
What are the key properties of 2-(1-methylindol-7-yl)ethanesulfonyl chloride?
2-(1-methylindol-7-yl)ethanesulfonyl chloride has a molecular weight of 257.74 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-7-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84709242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).