2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde

C19H18N2O3S — CID 4683666

IUPAC2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C19H18N2O3S/c22-13-17-16-12-15(25(23,24)21-10-4-5-11-21)8-9-18(16)20-19(17)14-6-2-1-3-7-14/h1-3,6-9,12-13,20H,4-5,10-11H2
InChIKeyUTRRRMMNHUGTBF-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.43
Rot. Bonds4

About 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde

2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde (PubChem CID 4683666) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
PubChem CID4683666
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C19H18N2O3S/c22-13-17-16-12-15(25(23,24)21-10-4-5-11-21)8-9-18(16)20-19(17)14-6-2-1-3-7-14/h1-3,6-9,12-13,20H,4-5,10-11H2
InChIKeyUTRRRMMNHUGTBF-UHFFFAOYSA-N
XLogP3.43
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3842610
2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3415551
5-(azepan-1-ylsulfonyl)-2-(3,4-difluorophenyl)-1H-indole-3-carbaldehyde
CID 3765830
2-(4-methoxy-3-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3601736
2-(2,4-difluorophenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3807724
5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde
CID 3755055
2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3752137
2-(1-adamantyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3617739
5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3741706
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3803877

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde (CID 4683666) is 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccccc2)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12.
What is the InChIKey of 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The InChIKey is UTRRRMMNHUGTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-13-17-16-12-15(25(23,24)21-10-4-5-11-21)8-9-18(16)20-19(17)14-6-2-1-3-7-14/h1-3,6-9,12-13,20H,4-5,10-11H2.
What are the key properties of 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde has a molecular weight of 354.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4683666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).