(E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide

C20H19F2N3O3S — CID 25184482

IUPAC(E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide
SMILESCOc1cc(/C=C/S(=O)(=O)NCc2ccc(F)c(F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H19F2N3O3S/c1-14-12-25(13-23-14)19-6-4-15(10-20(19)28-2)7-8-29(26,27)24-11-16-3-5-17(21)18(22)9-16/h3-10,12-13,24H,11H2,1-2H3/b8-7+
InChIKeyRUMXHPQARQWDSI-BQYQJAHWSA-N
MW419.45 g/mol
LogP3.56
Rot. Bonds7

About (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide

(E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide (PubChem CID 25184482) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide
PubChem CID25184482
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC Name(E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide
SMILESCOc1cc(/C=C/S(=O)(=O)NCc2ccc(F)c(F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H19F2N3O3S/c1-14-12-25(13-23-14)19-6-4-15(10-20(19)28-2)7-8-29(26,27)24-11-16-3-5-17(21)18(22)9-16/h3-10,12-13,24H,11H2,1-2H3/b8-7+
InChIKeyRUMXHPQARQWDSI-BQYQJAHWSA-N
XLogP3.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(naphthalen-1-ylmethyl)ethenesulfonamide
CID 25184551
(E)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide
CID 25184480
(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
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methylprop-2-enamide
CID 142686276
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
CID 1487527
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]sulfonyl-1-methyl-3,4-dihydro-1H-isoquinoline
CID 25184554
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
(E)-N-butyl-N-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 143143651
(E)-2-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 66838905
3,4-difluorobenzaldehyde;3-fluoro-4-(4-methylimidazol-1-yl)benzaldehyde
CID 160749152
(5S,8R)-5-(3,4-difluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 91101991

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide?
The IUPAC name of (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide (CID 25184482) is (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide is COc1cc(/C=C/S(=O)(=O)NCc2ccc(F)c(F)c2)ccc1-n1cnc(C)c1.
What is the InChIKey of (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide?
The InChIKey is RUMXHPQARQWDSI-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c1-14-12-25(13-23-14)19-6-4-15(10-20(19)28-2)7-8-29(26,27)24-11-16-3-5-17(21)18(22)9-16/h3-10,12-13,24H,11H2,1-2H3/b8-7+.
What are the key properties of (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide?
(E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide has a molecular weight of 419.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,4-difluorophenyl)methyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenesulfonamide is sourced from PubChem (CID 25184482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).