4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H11ClN2O4S — CID 30055975

IUPAC4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C12H11ClN2O4S/c13-9-3-1-8(2-4-9)6-15-20(18,19)10-5-11(12(16)17)14-7-10/h1-5,7,14-15H,6H2,(H,16,17)
InChIKeyRQUKNTFSUFURFO-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.84
Rot. Bonds5

About 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 30055975) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID30055975
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Name4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C12H11ClN2O4S/c13-9-3-1-8(2-4-9)6-15-20(18,19)10-5-11(12(16)17)14-7-10/h1-5,7,14-15H,6H2,(H,16,17)
InChIKeyRQUKNTFSUFURFO-UHFFFAOYSA-N
XLogP1.84
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-[(2-amino-5-chlorophenyl)sulfonyl]-4-methyl-1h-pyrrole-2-carboxylate
CID 477802
Ethyl 1-(2-amino-5-chloro-phenyl)sulfonyl-4-vinyl-pyrrole-2-carboxylate
CID 477807
4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid
CID 11299678
methyl 4-{[benzyl(tert-butyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938572
Methyl 4-{[2-(4-chlorophenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22551871
Methyl 4-{[2-(4-methylphenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22551999
methyl 4-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22552068
Methyl 4-[({1-[(4-chlorophenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 20938641
1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid
CID 4120055
4-(1-Pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 7131113
4-(4-Chlorophenyl)-1H-pyrrole-2-carboxylic acid
CID 12897099
methyl 4-(benzylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 6625902

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 30055975) is 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)c[nH]1.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is RQUKNTFSUFURFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c13-9-3-1-8(2-4-9)6-15-20(18,19)10-5-11(12(16)17)14-7-10/h1-5,7,14-15H,6H2,(H,16,17).
What are the key properties of 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 314.75 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 30055975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).