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

C11H11Cl2N3O3S — CID 82914081

IUPAC2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cncc1COc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C11H11Cl2N3O3S/c1-16-6-15-4-7(16)5-19-10-2-9(13)11(3-8(10)12)20(14,17)18/h2-4,6H,5H2,1H3,(H2,14,17,18)
InChIKeyKSAPZDSNFALRIS-UHFFFAOYSA-N
MW336.20 g/mol
LogP1.95
Rot. Bonds4

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

2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide (PubChem CID 82914081) has the molecular formula C11H11Cl2N3O3S and a molecular weight of 336.20 g/mol. Its IUPAC name is 2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
PubChem CID82914081
Molecular FormulaC11H11Cl2N3O3S
Molecular Weight336.20 g/mol
Exact Mass334.99
IUPAC Name2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cncc1COc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C11H11Cl2N3O3S/c1-16-6-15-4-7(16)5-19-10-2-9(13)11(3-8(10)12)20(14,17)18/h2-4,6H,5H2,1H3,(H2,14,17,18)
InChIKeyKSAPZDSNFALRIS-UHFFFAOYSA-N
XLogP1.95
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921724
5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide
CID 67227128
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921804
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 82912915
2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528547
N-[[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 66142328
2,5-dichloro-4-[(2-chlorophenyl)methoxy]benzenesulfonamide
CID 43342568
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonyl chloride
CID 82917401
(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol
CID 113389943
2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
CID 82912914
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66141104

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide (CID 82914081) is 2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide is Cn1cncc1COc1cc(Cl)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide?
The InChIKey is KSAPZDSNFALRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3S/c1-16-6-15-4-7(16)5-19-10-2-9(13)11(3-8(10)12)20(14,17)18/h2-4,6H,5H2,1H3,(H2,14,17,18).
What are the key properties of 2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide?
2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide has a molecular weight of 336.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82914081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).