2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride

C14H17ClN2O3S — CID 114527399

IUPAC2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
SMILESCc1c(OCCc2nccn2C)ccc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C14H17ClN2O3S/c1-10-11(2)13(21(15,18)19)5-4-12(10)20-9-6-14-16-7-8-17(14)3/h4-5,7-8H,6,9H2,1-3H3
InChIKeyLRQVWUNDDQVUHX-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.59
Rot. Bonds5

About 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride

2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 114527399) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
PubChem CID114527399
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
SMILESCc1c(OCCc2nccn2C)ccc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C14H17ClN2O3S/c1-10-11(2)13(21(15,18)19)5-4-12(10)20-9-6-14-16-7-8-17(14)3/h4-5,7-8H,6,9H2,1-3H3
InChIKeyLRQVWUNDDQVUHX-UHFFFAOYSA-N
XLogP2.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527410
5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527415
3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527396
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528545
2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528547
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
4-(4-cyanobutoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82909968
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
4-(3-cyano-3-methylbutoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82910211
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride (CID 114527399) is 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride is Cc1c(OCCc2nccn2C)ccc(S(=O)(=O)Cl)c1C.
What is the InChIKey of 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is LRQVWUNDDQVUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-10-11(2)13(21(15,18)19)5-4-12(10)20-9-6-14-16-7-8-17(14)3/h4-5,7-8H,6,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride?
2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 328.82 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 114527399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).