4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H7BrF2N2O4S — CID 65467761

IUPAC4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c[nH]1
InChIInChI=1S/C11H7BrF2N2O4S/c12-5-1-7(13)10(8(14)2-5)16-21(19,20)6-3-9(11(17)18)15-4-6/h1-4,15-16H,(H,17,18)
InChIKeyDVVZXRKREFLCGK-UHFFFAOYSA-N
MW381.15 g/mol
LogP2.55
Rot. Bonds4

About 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 65467761) has the molecular formula C11H7BrF2N2O4S and a molecular weight of 381.15 g/mol. Its IUPAC name is 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID65467761
Molecular FormulaC11H7BrF2N2O4S
Molecular Weight381.15 g/mol
Exact Mass379.93
IUPAC Name4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c[nH]1
InChIInChI=1S/C11H7BrF2N2O4S/c12-5-1-7(13)10(8(14)2-5)16-21(19,20)6-3-9(11(17)18)15-4-6/h1-4,15-16H,(H,17,18)
InChIKeyDVVZXRKREFLCGK-UHFFFAOYSA-N
XLogP2.55
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.15
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 104937748
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 29051788
4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 28525667
5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106066663
4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361762
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43580595
4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780372
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
4-[(2-bromo-5-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62732887

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 65467761) is 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c[nH]1.
What is the InChIKey of 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is DVVZXRKREFLCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O4S/c12-5-1-7(13)10(8(14)2-5)16-21(19,20)6-3-9(11(17)18)15-4-6/h1-4,15-16H,(H,17,18).
What are the key properties of 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 381.15 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 65467761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).