2,4-di(propan-2-yl)benzenesulfonyl chloride

C12H17ClO2S — CID 3022297

IUPAC2,4-di(propan-2-yl)benzenesulfonyl chloride
SMILESCC(C)c1ccc(S(=O)(=O)Cl)c(C(C)C)c1
InChIInChI=1S/C12H17ClO2S/c1-8(2)10-5-6-12(16(13,14)15)11(7-10)9(3)4/h5-9H,1-4H3
InChIKeyVGWSSUWTLNPRBC-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.86
Rot. Bonds3

About 2,4-di(propan-2-yl)benzenesulfonyl chloride

2,4-di(propan-2-yl)benzenesulfonyl chloride (PubChem CID 3022297) has the molecular formula C12H17ClO2S and a molecular weight of 260.79 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-di(propan-2-yl)benzenesulfonyl chloride
PubChem CID3022297
Molecular FormulaC12H17ClO2S
Molecular Weight260.79 g/mol
Exact Mass260.06
IUPAC Name2,4-di(propan-2-yl)benzenesulfonyl chloride
SMILESCC(C)c1ccc(S(=O)(=O)Cl)c(C(C)C)c1
InChIInChI=1S/C12H17ClO2S/c1-8(2)10-5-6-12(16(13,14)15)11(7-10)9(3)4/h5-9H,1-4H3
InChIKeyVGWSSUWTLNPRBC-UHFFFAOYSA-N
XLogP3.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)benzenesulfonyl chloride?
The IUPAC name of 2,4-di(propan-2-yl)benzenesulfonyl chloride (CID 3022297) is 2,4-di(propan-2-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-di(propan-2-yl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-di(propan-2-yl)benzenesulfonyl chloride is CC(C)c1ccc(S(=O)(=O)Cl)c(C(C)C)c1.
What is the InChIKey of 2,4-di(propan-2-yl)benzenesulfonyl chloride?
The InChIKey is VGWSSUWTLNPRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2S/c1-8(2)10-5-6-12(16(13,14)15)11(7-10)9(3)4/h5-9H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)benzenesulfonyl chloride?
2,4-di(propan-2-yl)benzenesulfonyl chloride has a molecular weight of 260.79 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)benzenesulfonyl chloride is sourced from PubChem (CID 3022297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).