4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride

C11H15ClO5S2 — CID 98644091

IUPAC4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
SMILESCC(C)S(=O)(=O)CCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO5S2/c1-9(2)18(13,14)8-7-17-10-3-5-11(6-4-10)19(12,15)16/h3-6,9H,7-8H2,1-2H3
InChIKeyUANFEGRZNUHXET-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.82
Rot. Bonds6

About 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride

4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride (PubChem CID 98644091) has the molecular formula C11H15ClO5S2 and a molecular weight of 326.82 g/mol. Its IUPAC name is 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
PubChem CID98644091
Molecular FormulaC11H15ClO5S2
Molecular Weight326.82 g/mol
Exact Mass326.00
IUPAC Name4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
SMILESCC(C)S(=O)(=O)CCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO5S2/c1-9(2)18(13,14)8-7-17-10-3-5-11(6-4-10)19(12,15)16/h3-6,9H,7-8H2,1-2H3
InChIKeyUANFEGRZNUHXET-UHFFFAOYSA-N
XLogP1.82
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722837
4-[3-(2-methylpropoxy)propoxy]benzenesulfonyl chloride
CID 90949891
N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106721971
1-[4-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-one
CID 106725005
2-chloro-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721688
4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 87522161
4-[3-(dimethylamino)propoxy]benzenesulfonyl chloride;hydrochloride
CID 87727140
2-methyl-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721630
2,3-dimethyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722847
4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride
CID 98235111
4-(3-cyano-3-methylbutoxy)benzenesulfonyl chloride
CID 82917850
2-(4-methoxyphenoxy)ethanesulfonyl chloride
CID 54594527

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride (CID 98644091) is 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride is CC(C)S(=O)(=O)CCOc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride?
The InChIKey is UANFEGRZNUHXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO5S2/c1-9(2)18(13,14)8-7-17-10-3-5-11(6-4-10)19(12,15)16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride?
4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride has a molecular weight of 326.82 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 98644091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).