N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide

C17H17N3O6S — CID 91085408

IUPACN-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NCc2[nH]c(=O)[nH]c2O)cc1
InChIInChI=1S/C17H17N3O6S/c1-25-14-4-2-3-5-15(14)26-11-6-8-12(9-7-11)27(23,24)18-10-13-16(21)20-17(22)19-13/h2-9,18,21H,10H2,1H3,(H2,19,20,22)
InChIKeyRYQNRVCTYBYNLR-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.69
Rot. Bonds7

About N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide

N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide (PubChem CID 91085408) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
PubChem CID91085408
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC NameN-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NCc2[nH]c(=O)[nH]c2O)cc1
InChIInChI=1S/C17H17N3O6S/c1-25-14-4-2-3-5-15(14)26-11-6-8-12(9-7-11)27(23,24)18-10-13-16(21)20-17(22)19-13/h2-9,18,21H,10H2,1H3,(H2,19,20,22)
InChIKeyRYQNRVCTYBYNLR-UHFFFAOYSA-N
XLogP1.69
TPSA133.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 59710560
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
(2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate
CID 7045621
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 44669136
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-[(2-phenoxyphenyl)methylsulfamoyl]benzamide
CID 86864080
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
The IUPAC name of N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide (CID 91085408) is N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide.
What is the SMILES notation for N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
The canonical SMILES for N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide is COc1ccccc1Oc1ccc(S(=O)(=O)NCc2[nH]c(=O)[nH]c2O)cc1.
What is the InChIKey of N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
The InChIKey is RYQNRVCTYBYNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-25-14-4-2-3-5-15(14)26-11-6-8-12(9-7-11)27(23,24)18-10-13-16(21)20-17(22)19-13/h2-9,18,21H,10H2,1H3,(H2,19,20,22).
What are the key properties of N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide has a molecular weight of 391.41 g/mol, XLogP of 1.69, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide is sourced from PubChem (CID 91085408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).