(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride

C10H10Cl2O4S — CID 117478459

IUPAC(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
SMILESCCc1c(CS(=O)(=O)Cl)cc2c(c1Cl)OCO2
InChIInChI=1S/C10H10Cl2O4S/c1-2-7-6(4-17(12,13)14)3-8-10(9(7)11)16-5-15-8/h3H,2,4-5H2,1H3
InChIKeyYJQDHCACCOSBQS-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.70
Rot. Bonds3

About (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride

(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride (PubChem CID 117478459) has the molecular formula C10H10Cl2O4S and a molecular weight of 297.16 g/mol. Its IUPAC name is (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
PubChem CID117478459
Molecular FormulaC10H10Cl2O4S
Molecular Weight297.16 g/mol
Exact Mass295.97
IUPAC Name(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
SMILESCCc1c(CS(=O)(=O)Cl)cc2c(c1Cl)OCO2
InChIInChI=1S/C10H10Cl2O4S/c1-2-7-6(4-17(12,13)14)3-8-10(9(7)11)16-5-15-8/h3H,2,4-5H2,1H3
InChIKeyYJQDHCACCOSBQS-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl 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

(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117478452
1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117358658
(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117495919
ethyl 2-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 117462323
[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-4-yl]methanesulfonyl chloride
CID 117475244
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117452651
2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 84679932
4-chloro-5-ethyl-6-(1-isocyanatocyclobutyl)-1,3-benzodioxole
CID 117448713
5-chloro-6-ethyl-1,3-benzodioxole;ethane
CID 176955593
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanesulfonyl chloride
CID 117478457
1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
CID 83886131

Frequently Asked Questions

What is the IUPAC name of (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride?
The IUPAC name of (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride (CID 117478459) is (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride?
The canonical SMILES for (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride is CCc1c(CS(=O)(=O)Cl)cc2c(c1Cl)OCO2.
What is the InChIKey of (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride?
The InChIKey is YJQDHCACCOSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4S/c1-2-7-6(4-17(12,13)14)3-8-10(9(7)11)16-5-15-8/h3H,2,4-5H2,1H3.
What are the key properties of (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride?
(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride has a molecular weight of 297.16 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 117478459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).