3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide

C18H18N2O3S — CID 3428131

IUPAC3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
SMILESCc1ccccc1-c1[nH]c2ccc(S(=O)(=O)N(C)C)cc2c1C=O
InChIInChI=1S/C18H18N2O3S/c1-12-6-4-5-7-14(12)18-16(11-21)15-10-13(8-9-17(15)19-18)24(22,23)20(2)3/h4-11,19H,1-3H3
InChIKeyFWWZFCONVXHYMU-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.21
Rot. Bonds4

About 3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide

3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide (PubChem CID 3428131) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
PubChem CID3428131
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
SMILESCc1ccccc1-c1[nH]c2ccc(S(=O)(=O)N(C)C)cc2c1C=O
InChIInChI=1S/C18H18N2O3S/c1-12-6-4-5-7-14(12)18-16(11-21)15-10-13(8-9-17(15)19-18)24(22,23)20(2)3/h4-11,19H,1-3H3
InChIKeyFWWZFCONVXHYMU-UHFFFAOYSA-N
XLogP3.21
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.21
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-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3489587
2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3790476
3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide
CID 3830629
3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 3710473
2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3802955
5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde
CID 3776362
2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3268343
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
N,N-dimethyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 69345180
2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 3827821
3-formyl-N,N,4-trimethylbenzenesulfonamide
CID 105484638

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide (CID 3428131) is 3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide is Cc1ccccc1-c1[nH]c2ccc(S(=O)(=O)N(C)C)cc2c1C=O.
What is the InChIKey of 3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide?
The InChIKey is FWWZFCONVXHYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-6-4-5-7-14(12)18-16(11-21)15-10-13(8-9-17(15)19-18)24(22,23)20(2)3/h4-11,19H,1-3H3.
What are the key properties of 3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide?
3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.21, 4 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-(2-methylphenyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 3428131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).