methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate

C16H18N2O4S — CID 6623860

IUPACmethyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2c3ccccc3CC2C)cn1C
InChIInChI=1S/C16H18N2O4S/c1-11-8-12-6-4-5-7-14(12)18(11)23(20,21)13-9-15(16(19)22-3)17(2)10-13/h4-7,9-11H,8H2,1-3H3
InChIKeySWOZNSKUFHFKNP-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.95
Rot. Bonds3

About methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate

methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate (PubChem CID 6623860) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate
PubChem CID6623860
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Namemethyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2c3ccccc3CC2C)cn1C
InChIInChI=1S/C16H18N2O4S/c1-11-8-12-6-4-5-7-14(12)18(11)23(20,21)13-9-15(16(19)22-3)17(2)10-13/h4-7,9-11H,8H2,1-3H3
InChIKeySWOZNSKUFHFKNP-UHFFFAOYSA-N
XLogP1.95
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate 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 5-[(benzylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810316
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-methylphenyl)sulfonyl)-, ethyl ester
CID 464830
Methyl 4-[({1-[(4-methylphenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 16025629
methyl 1-methyl-4-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 16025639
methyl 4-{[benzyl(tert-butyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938572
Ethyl 1-(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylpiperidine-3-carboxylate
CID 22515695
Ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
CID 22515783
methyl 4-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 22551963
methyl 4-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 22551964

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate (CID 6623860) is methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N2c3ccccc3CC2C)cn1C.
What is the InChIKey of methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate?
The InChIKey is SWOZNSKUFHFKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11-8-12-6-4-5-7-14(12)18(11)23(20,21)13-9-15(16(19)22-3)17(2)10-13/h4-7,9-11H,8H2,1-3H3.
What are the key properties of methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate?
methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]pyrrole-2-carboxylate is sourced from PubChem (CID 6623860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).