1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene

C15H23ClO3S — CID 57110357

IUPAC1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene
SMILESCC(C)c1ccc(OS(=O)(=O)Cl)c(C(C)C)c1C(C)C
InChIInChI=1S/C15H23ClO3S/c1-9(2)12-7-8-13(19-20(16,17)18)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3
InChIKeyXHCNLMSDSRWGLO-UHFFFAOYSA-N
MW318.87 g/mol
LogP4.92
Rot. Bonds5

About 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene

1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene (PubChem CID 57110357) has the molecular formula C15H23ClO3S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene
PubChem CID57110357
Molecular FormulaC15H23ClO3S
Molecular Weight318.87 g/mol
Exact Mass318.11
IUPAC Name1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene
SMILESCC(C)c1ccc(OS(=O)(=O)Cl)c(C(C)C)c1C(C)C
InChIInChI=1S/C15H23ClO3S/c1-9(2)12-7-8-13(19-20(16,17)18)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3
InChIKeyXHCNLMSDSRWGLO-UHFFFAOYSA-N
XLogP4.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 134237189
azane;2,3,4-tri(propan-2-yl)benzenesulfonic acid
CID 173448349
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
[2,3,4-tri(propan-2-yl)phenyl] thiohypochlorite
CID 19977431
2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane
CID 137441560
1-(chloromethyl)-2,3,4-tri(propan-2-yl)benzene
CID 70608971
4-pentan-2-yloxy-3-propan-2-ylbenzenesulfonyl chloride
CID 107889742
1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
CID 140816630
dimethyl 4,6-di(propan-2-yl)benzene-1,3-disulfonate
CID 135297196
4-(2,2-difluoroethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 60922524
1-phosphorosooxy-2,3-di(propan-2-yl)benzene
CID 141326845

Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene?
The IUPAC name of 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene (CID 57110357) is 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene.
What is the SMILES notation for 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene?
The canonical SMILES for 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene is CC(C)c1ccc(OS(=O)(=O)Cl)c(C(C)C)c1C(C)C.
What is the InChIKey of 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene?
The InChIKey is XHCNLMSDSRWGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO3S/c1-9(2)12-7-8-13(19-20(16,17)18)15(11(5)6)14(12)10(3)4/h7-11H,1-6H3.
What are the key properties of 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene?
1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene has a molecular weight of 318.87 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfonyloxy-2,3,4-tri(propan-2-yl)benzene is sourced from PubChem (CID 57110357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).