4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C13H14N2O4S — CID 16780760

IUPAC4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)c[nH]1
InChIInChI=1S/C13H14N2O4S/c16-13(17)12-8-11(9-14-12)20(18,19)15-7-6-10-4-2-1-3-5-10/h1-5,8-9,14-15H,6-7H2,(H,16,17)
InChIKeyCFBOXEJECBNLEB-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.23
Rot. Bonds6

About 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 16780760) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID16780760
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)c[nH]1
InChIInChI=1S/C13H14N2O4S/c16-13(17)12-8-11(9-14-12)20(18,19)15-7-6-10-4-2-1-3-5-10/h1-5,8-9,14-15H,6-7H2,(H,16,17)
InChIKeyCFBOXEJECBNLEB-UHFFFAOYSA-N
XLogP1.23
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
4-[2-(1,3-benzothiazol-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167952980
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65231835
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
methyl 4-[2-(4-chlorophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 22551871
4-[(2-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780221
4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 30055975
4-[(4-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780350
4-(3-pyrrolidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43362200
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43712120

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 16780760) is 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)c[nH]1.
What is the InChIKey of 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is CFBOXEJECBNLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-13(17)12-8-11(9-14-12)20(18,19)15-7-6-10-4-2-1-3-5-10/h1-5,8-9,14-15H,6-7H2,(H,16,17).
What are the key properties of 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 16780760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).