1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride

C10H11ClO4S — CID 116866355

IUPAC1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
SMILESCc1cc2c(cc1C(C)S(=O)(=O)Cl)OCO2
InChIInChI=1S/C10H11ClO4S/c1-6-3-9-10(15-5-14-9)4-8(6)7(2)16(11,12)13/h3-4,7H,5H2,1-2H3
InChIKeyUAZLGSOYEBQSHF-UHFFFAOYSA-N
MW262.71 g/mol
LogP2.35
Rot. Bonds2

About 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride

1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride (PubChem CID 116866355) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
PubChem CID116866355
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
SMILESCc1cc2c(cc1C(C)S(=O)(=O)Cl)OCO2
InChIInChI=1S/C10H11ClO4S/c1-6-3-9-10(15-5-14-9)4-8(6)7(2)16(11,12)13/h3-4,7H,5H2,1-2H3
InChIKeyUAZLGSOYEBQSHF-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
3-(6-methyl-1,3-benzodioxol-5-yl)butanal
CID 117294630
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide
CID 116847099
1-(dimethylamino)-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-one
CID 116860007
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
2,2,2-trifluoro-1-(6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 116947211
2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
CID 116850457
1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine
CID 116830345
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propan-2-amine
CID 117044240

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride?
The IUPAC name of 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride (CID 116866355) is 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride.
What is the SMILES notation for 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride?
The canonical SMILES for 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride is Cc1cc2c(cc1C(C)S(=O)(=O)Cl)OCO2.
What is the InChIKey of 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride?
The InChIKey is UAZLGSOYEBQSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-6-3-9-10(15-5-14-9)4-8(6)7(2)16(11,12)13/h3-4,7H,5H2,1-2H3.
What are the key properties of 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride?
1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride has a molecular weight of 262.71 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,3-benzodioxol-5-yl)ethanesulfonyl chloride is sourced from PubChem (CID 116866355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).