2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid

C14H16N2O4S — CID 7131107

IUPAC2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H16N2O4S/c1-9-7-13(14(17)18)10(2)16(9)8-11-3-5-12(6-4-11)21(15,19)20/h3-7H,8H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyIQLLNIKUNMMXRV-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.50
Rot. Bonds4

About 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid

2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid (PubChem CID 7131107) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid
PubChem CID7131107
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H16N2O4S/c1-9-7-13(14(17)18)10(2)16(9)8-11-3-5-12(6-4-11)21(15,19)20/h3-7H,8H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyIQLLNIKUNMMXRV-UHFFFAOYSA-N
XLogP1.50
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 118871370
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 29037309
1-[(4-cyanophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 55053723
N-[4-(furan-2-carbonylamino)phenyl]-2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 166200883
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylate
CID 55481487
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
(1-benzyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119401713
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide
CID 165064656

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid (CID 7131107) is 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c(C)n1Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid?
The InChIKey is IQLLNIKUNMMXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-7-13(14(17)18)10(2)16(9)8-11-3-5-12(6-4-11)21(15,19)20/h3-7H,8H2,1-2H3,(H,17,18)(H2,15,19,20).
What are the key properties of 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid?
2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 7131107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).