3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride

C11H11ClN2O3S — CID 59591064

IUPAC3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)ccc1-n1cnc(C)c1
InChIInChI=1S/C11H11ClN2O3S/c1-8-6-14(7-13-8)10-4-3-9(18(12,15)16)5-11(10)17-2/h3-7H,1-2H3
InChIKeyKUZQYGIRTQNJMB-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.12
Rot. Bonds3

About 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride

3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride (PubChem CID 59591064) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
PubChem CID59591064
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)ccc1-n1cnc(C)c1
InChIInChI=1S/C11H11ClN2O3S/c1-8-6-14(7-13-8)10-4-3-9(18(12,15)16)5-11(10)17-2/h3-7H,1-2H3
InChIKeyKUZQYGIRTQNJMB-UHFFFAOYSA-N
XLogP2.12
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
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CID 140582920
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
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3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926
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CID 66607849
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 67702026
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700517
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CID 86632605
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride?
The IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride (CID 59591064) is 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride.
What is the SMILES notation for 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride?
The canonical SMILES for 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride is COc1cc(S(=O)(=O)Cl)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride?
The InChIKey is KUZQYGIRTQNJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-8-6-14(7-13-8)10-4-3-9(18(12,15)16)5-11(10)17-2/h3-7H,1-2H3.
What are the key properties of 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride?
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride has a molecular weight of 286.74 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride is sourced from PubChem (CID 59591064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).