3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid

C15H19N3O5S — CID 70115511

IUPAC3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid
SMILESCN(C)S(=O)(=O)n1ccnc1C(CC(=O)O)Cc1ccccc1O
InChIInChI=1S/C15H19N3O5S/c1-17(2)24(22,23)18-8-7-16-15(18)12(10-14(20)21)9-11-5-3-4-6-13(11)19/h3-8,12,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyDYYDYVZFQYAXKL-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.04
Rot. Bonds7

About 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid

3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid (PubChem CID 70115511) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid
PubChem CID70115511
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid
SMILESCN(C)S(=O)(=O)n1ccnc1C(CC(=O)O)Cc1ccccc1O
InChIInChI=1S/C15H19N3O5S/c1-17(2)24(22,23)18-8-7-16-15(18)12(10-14(20)21)9-11-5-3-4-6-13(11)19/h3-8,12,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyDYYDYVZFQYAXKL-UHFFFAOYSA-N
XLogP1.04
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylimidazol-2-yl)-4-phenylbutanoic acid
CID 82385749
2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
CID 113314417
N,N-dimethyl-2-propylimidazole-1-sulfonamide
CID 10856929
2-(2-hydroxyphenyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106936085
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one
CID 159401100
3-[ethyl-[(2-hydroxyphenyl)methyl]amino]butanoic acid
CID 65060655
methyl (2S)-3-[1-(benzenesulfonyl)imidazol-2-yl]-2-[benzenesulfonyl(prop-2-ynyl)amino]propanoate
CID 11271725
5,5-dimethyl-3-pyridin-2-ylhexanoic acid
CID 71168510
3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea
CID 110460025
S-[(S)-(1-methylimidazol-2-yl)-phenylmethyl] N,N-dimethylcarbamothioate
CID 139191053
3-(2-phenylimidazol-1-yl)butanoic acid
CID 53211630

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid?
The IUPAC name of 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid (CID 70115511) is 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid?
The canonical SMILES for 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid is CN(C)S(=O)(=O)n1ccnc1C(CC(=O)O)Cc1ccccc1O.
What is the InChIKey of 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid?
The InChIKey is DYYDYVZFQYAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-17(2)24(22,23)18-8-7-16-15(18)12(10-14(20)21)9-11-5-3-4-6-13(11)19/h3-8,12,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid?
3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid has a molecular weight of 353.40 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylsulfamoyl)imidazol-2-yl]-4-(2-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 70115511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).