2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride

C12H15ClO3S — CID 84713984

IUPAC2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride
SMILESCC1CCc2cc(CCS(=O)(=O)Cl)ccc2O1
InChIInChI=1S/C12H15ClO3S/c1-9-2-4-11-8-10(3-5-12(11)16-9)6-7-17(13,14)15/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeyLRIRWXVVDQRASD-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride

2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride (PubChem CID 84713984) has the molecular formula C12H15ClO3S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride
PubChem CID84713984
Molecular FormulaC12H15ClO3S
Molecular Weight274.77 g/mol
Exact Mass274.04
IUPAC Name2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride
SMILESCC1CCc2cc(CCS(=O)(=O)Cl)ccc2O1
InChIInChI=1S/C12H15ClO3S/c1-9-2-4-11-8-10(3-5-12(11)16-9)6-7-17(13,14)15/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeyLRIRWXVVDQRASD-UHFFFAOYSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl 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

6-ethyl-2-methyl-3,4-dihydro-2H-chromene
CID 143125132
4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid
CID 117340514
2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine
CID 142100009
3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanenitrile
CID 84770407
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863
1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
CID 105471600
1-[1-(2-methyl-3,4-dihydro-2H-chromen-6-yl)cyclopropyl]ethanamine
CID 117335065
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine
CID 117405682
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine
CID 81195482
(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride
CID 84713972
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]-6-methylpiperidine-3-carboxylic acid
CID 122104498

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride (CID 84713984) is 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride is CC1CCc2cc(CCS(=O)(=O)Cl)ccc2O1.
What is the InChIKey of 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride?
The InChIKey is LRIRWXVVDQRASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3S/c1-9-2-4-11-8-10(3-5-12(11)16-9)6-7-17(13,14)15/h3,5,8-9H,2,4,6-7H2,1H3.
What are the key properties of 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride?
2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride has a molecular weight of 274.77 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,4-dihydro-2H-chromen-6-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84713984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).