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

C22H24N2O4S — CID 3752137

IUPAC2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESCOc1ccc(C)cc1-c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1C=O
InChIInChI=1S/C22H24N2O4S/c1-15-6-9-21(28-2)18(12-15)22-19(14-25)17-13-16(7-8-20(17)23-22)29(26,27)24-10-4-3-5-11-24/h6-9,12-14,23H,3-5,10-11H2,1-2H3
InChIKeyFTWYQYOXEOOZOD-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.14
Rot. Bonds5

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

2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde (PubChem CID 3752137) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
PubChem CID3752137
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESCOc1ccc(C)cc1-c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1C=O
InChIInChI=1S/C22H24N2O4S/c1-15-6-9-21(28-2)18(12-15)22-19(14-25)17-13-16(7-8-20(17)23-22)29(26,27)24-10-4-3-5-11-24/h6-9,12-14,23H,3-5,10-11H2,1-2H3
InChIKeyFTWYQYOXEOOZOD-UHFFFAOYSA-N
XLogP4.14
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-3-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3601736
2-(4-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3842610
2-(5-chloro-2-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3803877
2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3415551
2-(2,4-difluorophenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3807724
2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 4683666
5-(azepan-1-ylsulfonyl)-2-(3,4-difluorophenyl)-1H-indole-3-carbaldehyde
CID 3765830
2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 4024988
5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde
CID 3755055
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
2-(1-adamantyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3617739
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide
CID 5178498

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde (CID 3752137) is 2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde is COc1ccc(C)cc1-c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2c1C=O.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The InChIKey is FTWYQYOXEOOZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-15-6-9-21(28-2)18(12-15)22-19(14-25)17-13-16(7-8-20(17)23-22)29(26,27)24-10-4-3-5-11-24/h6-9,12-14,23H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde has a molecular weight of 412.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3752137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).