1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid

C19H18N2O5S — CID 39992768

IUPAC1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
SMILESCc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)n(C)c3)cc2)cc1
InChIInChI=1S/C19H18N2O5S/c1-13-3-7-15(8-4-13)26-16-9-5-14(6-10-16)20-27(24,25)17-11-18(19(22)23)21(2)12-17/h3-12,20H,1-2H3,(H,22,23)
InChIKeyMHDNYQQKFPXSDD-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.62
Rot. Bonds6

About 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid

1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 39992768) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID39992768
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
SMILESCc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)n(C)c3)cc2)cc1
InChIInChI=1S/C19H18N2O5S/c1-13-3-7-15(8-4-13)26-16-9-5-14(6-10-16)20-27(24,25)17-11-18(19(22)23)21(2)12-17/h3-12,20H,1-2H3,(H,22,23)
InChIKeyMHDNYQQKFPXSDD-UHFFFAOYSA-N
XLogP3.62
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
4-[(2-bromo-5-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 82711529
4-[(6-fluoro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 103777928
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297
ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxylate
CID 46271592
4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55573254
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 30059495
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid (CID 39992768) is 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid is Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)n(C)c3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is MHDNYQQKFPXSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-13-3-7-15(8-4-13)26-16-9-5-14(6-10-16)20-27(24,25)17-11-18(19(22)23)21(2)12-17/h3-12,20H,1-2H3,(H,22,23).
What are the key properties of 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid?
1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 39992768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).