4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride

C10H11ClO4S — CID 130750049

IUPAC4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride
SMILESCC1(c2ccc(S(=O)(=O)Cl)cc2)OCCO1
InChIInChI=1S/C10H11ClO4S/c1-10(14-6-7-15-10)8-2-4-9(5-3-8)16(11,12)13/h2-5H,6-7H2,1H3
InChIKeyOVFBFFHOLOAOKG-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.83
Rot. Bonds2

About 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride

4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride (PubChem CID 130750049) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride
PubChem CID130750049
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride
SMILESCC1(c2ccc(S(=O)(=O)Cl)cc2)OCCO1
InChIInChI=1S/C10H11ClO4S/c1-10(14-6-7-15-10)8-2-4-9(5-3-8)16(11,12)13/h2-5H,6-7H2,1H3
InChIKeyOVFBFFHOLOAOKG-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride (CID 130750049) is 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride is CC1(c2ccc(S(=O)(=O)Cl)cc2)OCCO1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride?
The InChIKey is OVFBFFHOLOAOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-10(14-6-7-15-10)8-2-4-9(5-3-8)16(11,12)13/h2-5H,6-7H2,1H3.
What are the key properties of 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride?
4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride has a molecular weight of 262.71 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonyl chloride is sourced from PubChem (CID 130750049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).