4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H8F2N2O4S — CID 29051788

IUPAC4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c[nH]1
InChIInChI=1S/C11H8F2N2O4S/c12-6-1-7(13)3-8(2-6)15-20(18,19)9-4-10(11(16)17)14-5-9/h1-5,14-15H,(H,16,17)
InChIKeyCRCAPPWJIQXKHH-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.79
Rot. Bonds4

About 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 29051788) has the molecular formula C11H8F2N2O4S and a molecular weight of 302.26 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID29051788
Molecular FormulaC11H8F2N2O4S
Molecular Weight302.26 g/mol
Exact Mass302.02
IUPAC Name4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c[nH]1
InChIInChI=1S/C11H8F2N2O4S/c12-6-1-7(13)3-8(2-6)15-20(18,19)9-4-10(11(16)17)14-5-9/h1-5,14-15H,(H,16,17)
InChIKeyCRCAPPWJIQXKHH-UHFFFAOYSA-N
XLogP1.79
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 104937748
4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65467761
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
4-[(3-chloro-4-hydroxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 103930783
N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide
CID 16780201
4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43712120
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43580595
4-[[3-(methoxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701071
4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106119

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 29051788) is 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c[nH]1.
What is the InChIKey of 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is CRCAPPWJIQXKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4S/c12-6-1-7(13)3-8(2-6)15-20(18,19)9-4-10(11(16)17)14-5-9/h1-5,14-15H,(H,16,17).
What are the key properties of 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 302.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 29051788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).