methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate

C15H17N3O5S — CID 35532022

IUPACmethyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2cccn2C)c1
InChIInChI=1S/C15H17N3O5S/c1-10-6-7-11(15(20)23-3)9-13(10)24(21,22)17-16-14(19)12-5-4-8-18(12)2/h4-9,17H,1-3H3,(H,16,19)
InChIKeyRNTMNKNGZLQTCJ-UHFFFAOYSA-N
MW351.38 g/mol
LogP0.74
Rot. Bonds5

About methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate

methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate (PubChem CID 35532022) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate
PubChem CID35532022
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Namemethyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2cccn2C)c1
InChIInChI=1S/C15H17N3O5S/c1-10-6-7-11(15(20)23-3)9-13(10)24(21,22)17-16-14(19)12-5-4-8-18(12)2/h4-9,17H,1-3H3,(H,16,19)
InChIKeyRNTMNKNGZLQTCJ-UHFFFAOYSA-N
XLogP0.74
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate 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

methyl 4-iodo-3-[(1-methylpyrrole-2-carbonyl)amino]benzoate
CID 168957425
N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 47022397
methyl 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-methylbenzoate
CID 170563671
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2647311
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
dimethyl 2-[[(4-bromobenzoyl)amino]sulfamoyl]benzene-1,4-dicarboxylate
CID 26951548
methyl 3-[2-(2-methoxyethylamino)ethylsulfamoyl]-4-methylbenzoate
CID 120717524
N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 17426087
1-methyl-N'-[2-(4-methylphenyl)-2-oxoacetyl]pyrrole-2-carbohydrazide
CID 86910142
methyl 4-methyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzoate;dihydrochloride
CID 119994439
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate?
The IUPAC name of methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate (CID 35532022) is methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate is COC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2cccn2C)c1.
What is the InChIKey of methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate?
The InChIKey is RNTMNKNGZLQTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-10-6-7-11(15(20)23-3)9-13(10)24(21,22)17-16-14(19)12-5-4-8-18(12)2/h4-9,17H,1-3H3,(H,16,19).
What are the key properties of methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate?
methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate has a molecular weight of 351.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate is sourced from PubChem (CID 35532022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).