3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide

C20H22N2O3S — CID 3830629

IUPAC3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide
SMILESCC(C)c1ccc(-c2[nH]c3ccc(S(=O)(=O)N(C)C)cc3c2C=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-13(2)14-5-7-15(8-6-14)20-18(12-23)17-11-16(9-10-19(17)21-20)26(24,25)22(3)4/h5-13,21H,1-4H3
InChIKeyCRPZTANCIYKKBM-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.02
Rot. Bonds5

About 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide

3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide (PubChem CID 3830629) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide
PubChem CID3830629
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide
SMILESCC(C)c1ccc(-c2[nH]c3ccc(S(=O)(=O)N(C)C)cc3c2C=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-13(2)14-5-7-15(8-6-14)20-18(12-23)17-11-16(9-10-19(17)21-20)26(24,25)22(3)4/h5-13,21H,1-4H3
InChIKeyCRPZTANCIYKKBM-UHFFFAOYSA-N
XLogP4.02
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.02
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-propan-2-yl-1H-indole-3-carbaldehyde
CID 3799068
3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 3710473
3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 3428131
2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3489587
2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3802955
2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 3827821
5-propan-2-yl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3516645
2-(4-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3842610
2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3790476
2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3822875
5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
CID 4209000
6-(dimethylsulfamoyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 4645947

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide (CID 3830629) is 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide is CC(C)c1ccc(-c2[nH]c3ccc(S(=O)(=O)N(C)C)cc3c2C=O)cc1.
What is the InChIKey of 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide?
The InChIKey is CRPZTANCIYKKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13(2)14-5-7-15(8-6-14)20-18(12-23)17-11-16(9-10-19(17)21-20)26(24,25)22(3)4/h5-13,21H,1-4H3.
What are the key properties of 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide?
3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 3830629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).