2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride

C13H19ClO3S — CID 107889725

IUPAC2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride
SMILESCCCC(C)Oc1ccc(S(=O)(=O)Cl)c(C)c1C
InChIInChI=1S/C13H19ClO3S/c1-5-6-9(2)17-12-7-8-13(18(14,15)16)11(4)10(12)3/h7-9H,5-6H2,1-4H3
InChIKeyIHNXIMYJLZMJTF-UHFFFAOYSA-N
MW290.81 g/mol
LogP3.80
Rot. Bonds5

About 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride

2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride (PubChem CID 107889725) has the molecular formula C13H19ClO3S and a molecular weight of 290.81 g/mol. Its IUPAC name is 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride
PubChem CID107889725
Molecular FormulaC13H19ClO3S
Molecular Weight290.81 g/mol
Exact Mass290.07
IUPAC Name2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride
SMILESCCCC(C)Oc1ccc(S(=O)(=O)Cl)c(C)c1C
InChIInChI=1S/C13H19ClO3S/c1-5-6-9(2)17-12-7-8-13(18(14,15)16)11(4)10(12)3/h7-9H,5-6H2,1-4H3
InChIKeyIHNXIMYJLZMJTF-UHFFFAOYSA-N
XLogP3.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.81
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentan-2-yloxybenzenesulfonyl chloride
CID 86197607
5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
4-pentan-2-yloxy-3-propan-2-ylbenzenesulfonyl chloride
CID 107889742
2,3-dimethyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722847
4-(4-cyanobutoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82909968
4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82909967
2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
CID 107896256
3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide
CID 114013779
1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde
CID 107894824
3-methyl-4-pentan-2-yloxyaniline
CID 102980374
4-(3-cyano-3-methylbutoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82910211

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride?
The IUPAC name of 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride (CID 107889725) is 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride.
What is the SMILES notation for 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride?
The canonical SMILES for 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride is CCCC(C)Oc1ccc(S(=O)(=O)Cl)c(C)c1C.
What is the InChIKey of 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride?
The InChIKey is IHNXIMYJLZMJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3S/c1-5-6-9(2)17-12-7-8-13(18(14,15)16)11(4)10(12)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride?
2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride has a molecular weight of 290.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride is sourced from PubChem (CID 107889725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).