4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

C13H14N2O5S — CID 82877469

IUPAC4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2c[nH]c(C)c2C(=O)O)cc1
InChIInChI=1S/C13H14N2O5S/c1-8-12(13(16)17)11(7-14-8)15-21(18,19)10-5-3-9(20-2)4-6-10/h3-7,14-15H,1-2H3,(H,16,17)
InChIKeyXKGOIBMRMCEQBC-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.83
Rot. Bonds5

About 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82877469) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82877469
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2c[nH]c(C)c2C(=O)O)cc1
InChIInChI=1S/C13H14N2O5S/c1-8-12(13(16)17)11(7-14-8)15-21(18,19)10-5-3-9(20-2)4-6-10/h3-7,14-15H,1-2H3,(H,16,17)
InChIKeyXKGOIBMRMCEQBC-UHFFFAOYSA-N
XLogP1.83
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877622
2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880941
4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880853
4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877741
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 21251119
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
4-[(2-bromo-5-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62732887
4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 56821059

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82877469) is 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is COc1ccc(S(=O)(=O)Nc2c[nH]c(C)c2C(=O)O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is XKGOIBMRMCEQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-8-12(13(16)17)11(7-14-8)15-21(18,19)10-5-3-9(20-2)4-6-10/h3-7,14-15H,1-2H3,(H,16,17).
What are the key properties of 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82877469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).