2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid

C7H11N3O4S — CID 65231882

IUPAC2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C7H11N3O4S/c11-7(12)4-15(13,14)10-2-1-6-3-8-5-9-6/h3,5,10H,1-2,4H2,(H,8,9)(H,11,12)
InChIKeyFZMORHJZKTWHBF-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.04
Rot. Bonds6

About 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid

2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid (PubChem CID 65231882) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
PubChem CID65231882
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C7H11N3O4S/c11-7(12)4-15(13,14)10-2-1-6-3-8-5-9-6/h3,5,10H,1-2,4H2,(H,8,9)(H,11,12)
InChIKeyFZMORHJZKTWHBF-UHFFFAOYSA-N
XLogP-1.04
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
CID 65231275
N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide
CID 79673996
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548
4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059991
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65231835
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 65232447
1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
CID 65231409
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 65231514

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid (CID 65231882) is 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid?
The InChIKey is FZMORHJZKTWHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c11-7(12)4-15(13,14)10-2-1-6-3-8-5-9-6/h3,5,10H,1-2,4H2,(H,8,9)(H,11,12).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid?
2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid has a molecular weight of 233.25 g/mol, XLogP of -1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid is sourced from PubChem (CID 65231882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).