[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride

C12H15ClO4S — CID 117469798

IUPAC[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride
SMILESCC1(C)OCC(c2ccccc2CS(=O)(=O)Cl)O1
InChIInChI=1S/C12H15ClO4S/c1-12(2)16-7-11(17-12)10-6-4-3-5-9(10)8-18(13,14)15/h3-6,11H,7-8H2,1-2H3
InChIKeyGYTWNTYLBXKQIB-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.58
Rot. Bonds3

About [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride

[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride (PubChem CID 117469798) has the molecular formula C12H15ClO4S and a molecular weight of 290.77 g/mol. Its IUPAC name is [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride
PubChem CID117469798
Molecular FormulaC12H15ClO4S
Molecular Weight290.77 g/mol
Exact Mass290.04
IUPAC Name[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride
SMILESCC1(C)OCC(c2ccccc2CS(=O)(=O)Cl)O1
InChIInChI=1S/C12H15ClO4S/c1-12(2)16-7-11(17-12)10-6-4-3-5-9(10)8-18(13,14)15/h3-6,11H,7-8H2,1-2H3
InChIKeyGYTWNTYLBXKQIB-UHFFFAOYSA-N
XLogP2.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanal
CID 117340421
1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117374015
1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol
CID 117345071
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-oxoacetic acid
CID 117378520
1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone
CID 117376223
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol
CID 117347005
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid
CID 117379183
(4S)-4-[(1-benzylsulfonylcyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 157116282
2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]acetic acid
CID 117344858
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68717497
4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline
CID 117275390

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride?
The IUPAC name of [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride (CID 117469798) is [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride is CC1(C)OCC(c2ccccc2CS(=O)(=O)Cl)O1.
What is the InChIKey of [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride?
The InChIKey is GYTWNTYLBXKQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO4S/c1-12(2)16-7-11(17-12)10-6-4-3-5-9(10)8-18(13,14)15/h3-6,11H,7-8H2,1-2H3.
What are the key properties of [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride?
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride has a molecular weight of 290.77 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117469798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).