4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H12N2O5S — CID 43712120

IUPAC4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(CO)c2)c[nH]1
InChIInChI=1S/C12H12N2O5S/c15-7-8-2-1-3-9(4-8)14-20(18,19)10-5-11(12(16)17)13-6-10/h1-6,13-15H,7H2,(H,16,17)
InChIKeyMHANEHTVCBSRIR-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.01
Rot. Bonds5

About 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43712120) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43712120
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(CO)c2)c[nH]1
InChIInChI=1S/C12H12N2O5S/c15-7-8-2-1-3-9(4-8)14-20(18,19)10-5-11(12(16)17)13-6-10/h1-6,13-15H,7H2,(H,16,17)
InChIKeyMHANEHTVCBSRIR-UHFFFAOYSA-N
XLogP1.01
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(methoxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701071
5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607130
4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106119
4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 28525667
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
4-[(3-chloro-4-hydroxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 103930783
4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 29051788
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 20914906
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43712120) is 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccc(CO)c2)c[nH]1.
What is the InChIKey of 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is MHANEHTVCBSRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c15-7-8-2-1-3-9(4-8)14-20(18,19)10-5-11(12(16)17)13-6-10/h1-6,13-15H,7H2,(H,16,17).
What are the key properties of 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43712120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).