(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride

C10H10Cl2O4S — CID 117478452

IUPAC(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
SMILESCCc1c(CS(=O)(=O)Cl)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H10Cl2O4S/c1-2-7-6(4-17(12,13)14)3-8(11)10-9(7)15-5-16-10/h3H,2,4-5H2,1H3
InChIKeyRWHYLYRQNIOAJS-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.70
Rot. Bonds3

About (7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride

(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride (PubChem CID 117478452) has the molecular formula C10H10Cl2O4S and a molecular weight of 297.16 g/mol. Its IUPAC name is (7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
PubChem CID117478452
Molecular FormulaC10H10Cl2O4S
Molecular Weight297.16 g/mol
Exact Mass295.97
IUPAC Name(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
SMILESCCc1c(CS(=O)(=O)Cl)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H10Cl2O4S/c1-2-7-6(4-17(12,13)14)3-8(11)10-9(7)15-5-16-10/h3H,2,4-5H2,1H3
InChIKeyRWHYLYRQNIOAJS-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

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Related Compounds

(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117478459
7-chloro-4-ethyl-5-(isocyanatomethyl)-1,3-benzodioxole
CID 117351760
1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)ethanone
CID 84690721
1-[(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methyl]piperazine
CID 117454652
1-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-one
CID 117425541
(6-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117495919
1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84799985
[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117387373
2-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 117428025
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanesulfonyl chloride
CID 117478457
4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 117476646

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride?
The IUPAC name of (7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride (CID 117478452) is (7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride?
The canonical SMILES for (7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride is CCc1c(CS(=O)(=O)Cl)cc(Cl)c2c1OCO2.
What is the InChIKey of (7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride?
The InChIKey is RWHYLYRQNIOAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4S/c1-2-7-6(4-17(12,13)14)3-8(11)10-9(7)15-5-16-10/h3H,2,4-5H2,1H3.
What are the key properties of (7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride?
(7-chloro-4-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-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 117478452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).