7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene

C11H13ClO3S — CID 131984023

IUPAC7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(cc1Cl)OCCC2S(C)(=O)=O
InChIInChI=1S/C11H13ClO3S/c1-7-5-8-10(6-9(7)12)15-4-3-11(8)16(2,13)14/h5-6,11H,3-4H2,1-2H3
InChIKeyOVLGXNRGPPXAGD-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.52
Rot. Bonds1

About 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene

7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene (PubChem CID 131984023) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene
PubChem CID131984023
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Name7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(cc1Cl)OCCC2S(C)(=O)=O
InChIInChI=1S/C11H13ClO3S/c1-7-5-8-10(6-9(7)12)15-4-3-11(8)16(2,13)14/h5-6,11H,3-4H2,1-2H3
InChIKeyOVLGXNRGPPXAGD-UHFFFAOYSA-N
XLogP2.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene 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

7-chloro-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55273084
6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461683
6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene
CID 163753941
5-methylsulfonyl-2,3,4,5-tetrahydrothieno[3,2-h][1]benzoxepine-8-carboxylic acid
CID 131984152
N-[2-chloro-6-(3,4-dichlorophenoxy)-4-pyridinyl]-4-methylsulfonyl-3,4-dihydro-2H-thieno[3,2-g]chromene-7-carboxamide
CID 131983998
(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine
CID 130673761
methyl 6,7-dimethyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102164054
methyl 7,8-dichloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylate
CID 68510376
6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461686
6-chloro-7-(2,4-dimethylphenoxy)-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 143919001
[6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol
CID 126710140
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
CID 108783097

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene (CID 131984023) is 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene is Cc1cc2c(cc1Cl)OCCC2S(C)(=O)=O.
What is the InChIKey of 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene?
The InChIKey is OVLGXNRGPPXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c1-7-5-8-10(6-9(7)12)15-4-3-11(8)16(2,13)14/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene?
7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene has a molecular weight of 260.74 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-4-methylsulfonyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 131984023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).