3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine

C16H17N3O3S2 — CID 2148813

IUPAC3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCN=C2SCc2cccnc2)cc1
InChIInChI=1S/C16H17N3O3S2/c1-22-14-4-6-15(7-5-14)24(20,21)19-10-9-18-16(19)23-12-13-3-2-8-17-11-13/h2-8,11H,9-10,12H2,1H3
InChIKeyRWAFOPJEVUGHSV-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.38
Rot. Bonds5

About 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine

3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine (PubChem CID 2148813) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine
PubChem CID2148813
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCN=C2SCc2cccnc2)cc1
InChIInChI=1S/C16H17N3O3S2/c1-22-14-4-6-15(7-5-14)24(20,21)19-10-9-18-16(19)23-12-13-3-2-8-17-11-13/h2-8,11H,9-10,12H2,1H3
InChIKeyRWAFOPJEVUGHSV-UHFFFAOYSA-N
XLogP2.38
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine?
The IUPAC name of 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine (CID 2148813) is 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine is COc1ccc(S(=O)(=O)N2CCN=C2SCc2cccnc2)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine?
The InChIKey is RWAFOPJEVUGHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-22-14-4-6-15(7-5-14)24(20,21)19-10-9-18-16(19)23-12-13-3-2-8-17-11-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine?
3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine has a molecular weight of 363.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine is sourced from PubChem (CID 2148813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).