4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide

C16H16FN3O3S — CID 118710115

IUPAC4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NCCN2c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C16H16FN3O3S/c1-23-15-7-2-11(10-14(15)17)16-19-8-9-20(16)12-3-5-13(6-4-12)24(18,21)22/h2-7,10H,8-9H2,1H3,(H2,18,21,22)
InChIKeyMYEFALZXNPDAAK-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.75
Rot. Bonds4

About 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide

4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide (PubChem CID 118710115) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
PubChem CID118710115
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NCCN2c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C16H16FN3O3S/c1-23-15-7-2-11(10-14(15)17)16-19-8-9-20(16)12-3-5-13(6-4-12)24(18,21)22/h2-7,10H,8-9H2,1H3,(H2,18,21,22)
InChIKeyMYEFALZXNPDAAK-UHFFFAOYSA-N
XLogP1.75
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide (CID 118710115) is 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide is COc1ccc(C2=NCCN2c2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The InChIKey is MYEFALZXNPDAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-23-15-7-2-11(10-14(15)17)16-19-8-9-20(16)12-3-5-13(6-4-12)24(18,21)22/h2-7,10H,8-9H2,1H3,(H2,18,21,22).
What are the key properties of 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 118710115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).