2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride

C11H15ClO6S2 — CID 13179810

IUPAC2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride
SMILESCOc1cc(OC)c(S(=O)(=O)C(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO6S2/c1-7(2)19(13,14)10-6-11(20(12,15)16)9(18-4)5-8(10)17-3/h5-7H,1-4H3
InChIKeyITVVQEQMDNDAIL-UHFFFAOYSA-N
MW342.82 g/mol
LogP1.81
Rot. Bonds5

About 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride

2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride (PubChem CID 13179810) has the molecular formula C11H15ClO6S2 and a molecular weight of 342.82 g/mol. Its IUPAC name is 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride
PubChem CID13179810
Molecular FormulaC11H15ClO6S2
Molecular Weight342.82 g/mol
Exact Mass342.00
IUPAC Name2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride
SMILESCOc1cc(OC)c(S(=O)(=O)C(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO6S2/c1-7(2)19(13,14)10-6-11(20(12,15)16)9(18-4)5-8(10)17-3/h5-7H,1-4H3
InChIKeyITVVQEQMDNDAIL-UHFFFAOYSA-N
XLogP1.81
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methoxy-4,5-dimethyl-2-propan-2-ylsulfonylbenzene
CID 117031955
5-chlorosulfonyl-2,4-dimethoxybenzoic acid
CID 16771362
2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride
CID 50876030
5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride
CID 65368924
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
propyl 5-chlorosulfonyl-2,4-dimethoxybenzoate
CID 65398639
5-(dihydroxymethyl)-2-methoxybenzenesulfonyl chloride
CID 134424202
4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564
4-cyano-5-iodo-2-methoxybenzenesulfonyl chloride
CID 118828012
4-bromo-5-cyano-2-methoxybenzenesulfonyl chloride
CID 118845593
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
5-[amino(methylsulfonyl)methyl]-2-methoxybenzenesulfonyl chloride
CID 20848493

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride?
The IUPAC name of 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride (CID 13179810) is 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride.
What is the SMILES notation for 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride?
The canonical SMILES for 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride is COc1cc(OC)c(S(=O)(=O)C(C)C)cc1S(=O)(=O)Cl.
What is the InChIKey of 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride?
The InChIKey is ITVVQEQMDNDAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO6S2/c1-7(2)19(13,14)10-6-11(20(12,15)16)9(18-4)5-8(10)17-3/h5-7H,1-4H3.
What are the key properties of 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride?
2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride has a molecular weight of 342.82 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride is sourced from PubChem (CID 13179810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).