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

C12H13Cl2N3O3S — CID 114528547

IUPAC2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
SMILESCn1ccnc1CCOc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-17-4-3-16-12(17)2-5-20-10-6-9(14)11(7-8(10)13)21(15,18)19/h3-4,6-7H,2,5H2,1H3,(H2,15,18,19)
InChIKeyCMTWWTAOIFTURS-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.00
Rot. Bonds5

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

2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide (PubChem CID 114528547) has the molecular formula C12H13Cl2N3O3S and a molecular weight of 350.23 g/mol. Its IUPAC name is 2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
PubChem CID114528547
Molecular FormulaC12H13Cl2N3O3S
Molecular Weight350.23 g/mol
Exact Mass349.01
IUPAC Name2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
SMILESCn1ccnc1CCOc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-17-4-3-16-12(17)2-5-20-10-6-9(14)11(7-8(10)13)21(15,18)19/h3-4,6-7H,2,5H2,1H3,(H2,15,18,19)
InChIKeyCMTWWTAOIFTURS-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528545
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 82912915
5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527415
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359
2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82914081
2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527399
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527396
(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934191
2-(1-methylimidazol-2-yl)ethyl 2-amino-3-chlorobenzoate
CID 114531084

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide (CID 114528547) is 2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide is Cn1ccnc1CCOc1cc(Cl)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide?
The InChIKey is CMTWWTAOIFTURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3S/c1-17-4-3-16-12(17)2-5-20-10-6-9(14)11(7-8(10)13)21(15,18)19/h3-4,6-7H,2,5H2,1H3,(H2,15,18,19).
What are the key properties of 2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide?
2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide has a molecular weight of 350.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 114528547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).