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

Analyze 1-methyl-2,3-dihydroindole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Phenylsulfonyl)indoline
CID 668757
1-(4-Fluorophenyl)sulfonyl-2,3-dihydroindole
CID 768000
N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
1-Acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride
CID 14024596
1-(Methylsulfonyl)indoline
CID 639972
2,3-Dimethyl-1-(phenylsulfonyl)indoline
CID 252020
1-(Mesitylsulfonyl)indoline
CID 669094
N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide
CID 4876164
1-Benzylsulfonyl-2,3-dihydroindole
CID 870979
1-(Phenylsulfonyl)-2-methylindoline
CID 2985032
2-Methyl-1-[(4-methylphenyl)sulfonyl]indoline
CID 4205010
1-[(4-Fluorophenyl)sulfonyl]-2-methylindoline
CID 5297455

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).