1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole

C14H18N2O4S — CID 755299

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole
SMILESCCCc1nccn1S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H18N2O4S/c1-4-5-14-15-8-9-16(14)21(17,18)13-10-11(19-2)6-7-12(13)20-3/h6-10H,4-5H2,1-3H3
InChIKeyDEQCXODLKBPYLO-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.09
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole

1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole (PubChem CID 755299) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole
PubChem CID755299
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole
SMILESCCCc1nccn1S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H18N2O4S/c1-4-5-14-15-8-9-16(14)21(17,18)13-10-11(19-2)6-7-12(13)20-3/h6-10H,4-5H2,1-3H3
InChIKeyDEQCXODLKBPYLO-UHFFFAOYSA-N
XLogP2.09
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethoxybenzene-1-sulfonamide
CID 2992109
1-[(2,5-Diethoxyphenyl)sulfonyl]-2-ethyl-4-methylimidazole
CID 741693
1-(2,5-Dimethoxyphenyl)sulfonyl-2-ethylimidazole
CID 794493
1-(2,5-Dimethoxy-benzenesulfonyl)-2-isopropyl-1H-imidazole
CID 794495
1-[(4-Methoxyphenyl)sulfonyl]-4-methylimidazole
CID 804716
4-Fluoro-N-(3-imidazol-1-yl-propyl)-3-methoxy-benzenesulfonamide
CID 6493482
3-fluoro-N-[3-(1H-imidazol-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 6473542
1-[(2,5-diethoxyphenyl)sulfonyl]-2-methyl-1H-imidazole
CID 686069
5-fluoro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzenesulfonamide
CID 2989910
1-[(5-bromo-2-methoxyphenyl)sulfonyl]-2-ethyl-1H-imidazole
CID 699054
1-(2,5-Dimethoxyphenyl)sulfonyl-2-methylimidazole
CID 742882
1-[(5-bromo-2-methoxyphenyl)sulfonyl]-2-methyl-1H-imidazole
CID 775774

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole (CID 755299) is 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole is CCCc1nccn1S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole?
The InChIKey is DEQCXODLKBPYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-4-5-14-15-8-9-16(14)21(17,18)13-10-11(19-2)6-7-12(13)20-3/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole?
1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole has a molecular weight of 310.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimidazole is sourced from PubChem (CID 755299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).