1-(3-methyl-4-propoxyphenyl)sulfonylimidazole

C13H16N2O3S — CID 6472325

IUPAC1-(3-methyl-4-propoxyphenyl)sulfonylimidazole
SMILESCCCOc1ccc(S(=O)(=O)n2ccnc2)cc1C
InChIInChI=1S/C13H16N2O3S/c1-3-8-18-13-5-4-12(9-11(13)2)19(16,17)15-7-6-14-10-15/h4-7,9-10H,3,8H2,1-2H3
InChIKeyWEIFNZFKCBXGTE-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.22
Rot. Bonds5

About 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole

1-(3-methyl-4-propoxyphenyl)sulfonylimidazole (PubChem CID 6472325) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(3-methyl-4-propoxyphenyl)sulfonylimidazole
PubChem CID6472325
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(3-methyl-4-propoxyphenyl)sulfonylimidazole
SMILESCCCOc1ccc(S(=O)(=O)n2ccnc2)cc1C
InChIInChI=1S/C13H16N2O3S/c1-3-8-18-13-5-4-12(9-11(13)2)19(16,17)15-7-6-14-10-15/h4-7,9-10H,3,8H2,1-2H3
InChIKeyWEIFNZFKCBXGTE-UHFFFAOYSA-N
XLogP2.22
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dipropoxyphenyl)sulfonylimidazole
CID 71671433
4-(3-imidazol-1-ylpropoxy)-3-methylbenzenesulfonyl chloride
CID 82917400
azane;1-(4-methylphenyl)sulfonylimidazole
CID 174813676
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585261
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
CID 2147482
ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6472617
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669821
3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588184
1-(6-methoxynaphthalen-2-yl)sulfonylimidazole
CID 839429
1-(3-methyl-4-pentoxyphenyl)sulfonylbenzimidazole
CID 35201738
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592455
4-butoxy-3-methylbenzenesulfonamide
CID 43164510

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole?
The IUPAC name of 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole (CID 6472325) is 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole.
What is the SMILES notation for 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole?
The canonical SMILES for 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole is CCCOc1ccc(S(=O)(=O)n2ccnc2)cc1C.
What is the InChIKey of 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole?
The InChIKey is WEIFNZFKCBXGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-8-18-13-5-4-12(9-11(13)2)19(16,17)15-7-6-14-10-15/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole?
1-(3-methyl-4-propoxyphenyl)sulfonylimidazole has a molecular weight of 280.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propoxyphenyl)sulfonylimidazole is sourced from PubChem (CID 6472325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).