2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde

C20H20N2O3S — CID 3415551

IUPAC2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESCc1cccc(-c2[nH]c3ccc(S(=O)(=O)N4CCCC4)cc3c2C=O)c1
InChIInChI=1S/C20H20N2O3S/c1-14-5-4-6-15(11-14)20-18(13-23)17-12-16(7-8-19(17)21-20)26(24,25)22-9-2-3-10-22/h4-8,11-13,21H,2-3,9-10H2,1H3
InChIKeyNUJZLQZVRVZXMM-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.74
Rot. Bonds4

About 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde

2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde (PubChem CID 3415551) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
PubChem CID3415551
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESCc1cccc(-c2[nH]c3ccc(S(=O)(=O)N4CCCC4)cc3c2C=O)c1
InChIInChI=1S/C20H20N2O3S/c1-14-5-4-6-15(11-14)20-18(13-23)17-12-16(7-8-19(17)21-20)26(24,25)22-9-2-3-10-22/h4-8,11-13,21H,2-3,9-10H2,1H3
InChIKeyNUJZLQZVRVZXMM-UHFFFAOYSA-N
XLogP3.74
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde 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

2-(4-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3842610
2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 4683666
2-(4-methoxy-3-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3601736
5-(azepan-1-ylsulfonyl)-2-(3,4-difluorophenyl)-1H-indole-3-carbaldehyde
CID 3765830
2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3752137
2-(2,4-difluorophenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3807724
5-butan-2-yl-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3268342
5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde
CID 3755055
2-(1-adamantyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3617739
3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 3710473
7-bromo-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3707211
2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84699413

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde (CID 3415551) is 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde is Cc1cccc(-c2[nH]c3ccc(S(=O)(=O)N4CCCC4)cc3c2C=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The InChIKey is NUJZLQZVRVZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-5-4-6-15(11-14)20-18(13-23)17-12-16(7-8-19(17)21-20)26(24,25)22-9-2-3-10-22/h4-8,11-13,21H,2-3,9-10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde has a molecular weight of 368.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3415551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).