1-methyl-2,3-dihydroindole-4-sulfonyl chloride

C9H10ClNO2S — CID 84695216

IUPAC1-methyl-2,3-dihydroindole-4-sulfonyl chloride
SMILESCN1CCc2c1cccc2S(=O)(=O)Cl
InChIInChI=1S/C9H10ClNO2S/c1-11-6-5-7-8(11)3-2-4-9(7)14(10,12)13/h2-4H,5-6H2,1H3
InChIKeyCQXSKQARXBTYKX-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.61
Rot. Bonds1

About 1-methyl-2,3-dihydroindole-4-sulfonyl chloride

1-methyl-2,3-dihydroindole-4-sulfonyl chloride (PubChem CID 84695216) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-methyl-2,3-dihydroindole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-2,3-dihydroindole-4-sulfonyl chloride
PubChem CID84695216
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name1-methyl-2,3-dihydroindole-4-sulfonyl chloride
SMILESCN1CCc2c1cccc2S(=O)(=O)Cl
InChIInChI=1S/C9H10ClNO2S/c1-11-6-5-7-8(11)3-2-4-9(7)14(10,12)13/h2-4H,5-6H2,1H3
InChIKeyCQXSKQARXBTYKX-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydroindole-4-sulfonyl chloride?
The IUPAC name of 1-methyl-2,3-dihydroindole-4-sulfonyl chloride (CID 84695216) is 1-methyl-2,3-dihydroindole-4-sulfonyl chloride.
What is the SMILES notation for 1-methyl-2,3-dihydroindole-4-sulfonyl chloride?
The canonical SMILES for 1-methyl-2,3-dihydroindole-4-sulfonyl chloride is CN1CCc2c1cccc2S(=O)(=O)Cl.
What is the InChIKey of 1-methyl-2,3-dihydroindole-4-sulfonyl chloride?
The InChIKey is CQXSKQARXBTYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-11-6-5-7-8(11)3-2-4-9(7)14(10,12)13/h2-4H,5-6H2,1H3.
What are the key properties of 1-methyl-2,3-dihydroindole-4-sulfonyl chloride?
1-methyl-2,3-dihydroindole-4-sulfonyl chloride has a molecular weight of 231.70 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydroindole-4-sulfonyl chloride is sourced from PubChem (CID 84695216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).