3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide

C12H15N3O3S — CID 82921804

IUPAC3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCc1cncn1C
InChIInChI=1S/C12H15N3O3S/c1-9-5-11(19(13,16)17)3-4-12(9)18-7-10-6-14-8-15(10)2/h3-6,8H,7H2,1-2H3,(H2,13,16,17)
InChIKeySQKMIGDMPLDPDT-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.95
Rot. Bonds4

About 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide

3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide (PubChem CID 82921804) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
PubChem CID82921804
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCc1cncn1C
InChIInChI=1S/C12H15N3O3S/c1-9-5-11(19(13,16)17)3-4-12(9)18-7-10-6-14-8-15(10)2/h3-6,8H,7H2,1-2H3,(H2,13,16,17)
InChIKeySQKMIGDMPLDPDT-UHFFFAOYSA-N
XLogP0.95
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonyl chloride
CID 82917401
5-methyl-2-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921724
5-chloro-6-[(3-methylimidazol-4-yl)methoxy]pyridine-3-sulfonamide
CID 67227128
2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82914081
4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
CID 82921640
3-methyl-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 64773470
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66141104
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
CID 66142376

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide (CID 82921804) is 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1OCc1cncn1C.
What is the InChIKey of 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide?
The InChIKey is SQKMIGDMPLDPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-5-11(19(13,16)17)3-4-12(9)18-7-10-6-14-8-15(10)2/h3-6,8H,7H2,1-2H3,(H2,13,16,17).
What are the key properties of 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide?
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82921804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).