4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid

C10H12N4O4S — CID 65231835

IUPAC4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2cnc[nH]2)c[nH]1
InChIInChI=1S/C10H12N4O4S/c15-10(16)9-3-8(5-12-9)19(17,18)14-2-1-7-4-11-6-13-7/h3-6,12,14H,1-2H2,(H,11,13)(H,15,16)
InChIKeyYBDOBKHBQSVNBX-UHFFFAOYSA-N
MW284.30 g/mol
LogP-0.04
Rot. Bonds6

About 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 65231835) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID65231835
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Name4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2cnc[nH]2)c[nH]1
InChIInChI=1S/C10H12N4O4S/c15-10(16)9-3-8(5-12-9)19(17,18)14-2-1-7-4-11-6-13-7/h3-6,12,14H,1-2H2,(H,11,13)(H,15,16)
InChIKeyYBDOBKHBQSVNBX-UHFFFAOYSA-N
XLogP-0.04
TPSA127.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
CID 65231882
4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 65232447
3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231599
3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231853
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879
4-[3-(1H-1,2,4-triazol-5-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 64547602

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 65231835) is 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCc2cnc[nH]2)c[nH]1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is YBDOBKHBQSVNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S/c15-10(16)9-3-8(5-12-9)19(17,18)14-2-1-7-4-11-6-13-7/h3-6,12,14H,1-2H2,(H,11,13)(H,15,16).
What are the key properties of 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 284.30 g/mol, XLogP of -0.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 65231835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).