3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide

C12H13Cl2N3O3S — CID 82917892

IUPAC3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide
SMILESCc1nccn1CCOc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-8-16-2-3-17(8)4-5-20-12-10(13)6-9(7-11(12)14)21(15,18)19/h2-3,6-7H,4-5H2,1H3,(H2,15,18,19)
InChIKeyMGRXSJRJQSBJRD-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.22
Rot. Bonds5

About 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide

3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide (PubChem CID 82917892) has the molecular formula C12H13Cl2N3O3S and a molecular weight of 350.23 g/mol. Its IUPAC name is 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide
PubChem CID82917892
Molecular FormulaC12H13Cl2N3O3S
Molecular Weight350.23 g/mol
Exact Mass349.01
IUPAC Name3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide
SMILESCc1nccn1CCOc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-8-16-2-3-17(8)4-5-20-12-10(13)6-9(7-11(12)14)21(15,18)19/h2-3,6-7H,4-5H2,1H3,(H2,15,18,19)
InChIKeyMGRXSJRJQSBJRD-UHFFFAOYSA-N
XLogP2.22
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide (CID 82917892) is 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide is Cc1nccn1CCOc1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is MGRXSJRJQSBJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3S/c1-8-16-2-3-17(8)4-5-20-12-10(13)6-9(7-11(12)14)21(15,18)19/h2-3,6-7H,4-5H2,1H3,(H2,15,18,19).
What are the key properties of 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide?
3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 350.23 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 82917892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).