2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide

C19H18F2N2O3S — CID 3827821

IUPAC2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(F)c3)c(C=O)c2c1
InChIInChI=1S/C19H18F2N2O3S/c1-3-23(4-2)27(25,26)13-6-8-18-14(10-13)15(11-24)19(22-18)12-5-7-16(20)17(21)9-12/h5-11,22H,3-4H2,1-2H3
InChIKeyGNYFKZXOQPJCSM-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.96
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide

2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide (PubChem CID 3827821) has the molecular formula C19H18F2N2O3S and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
PubChem CID3827821
Molecular FormulaC19H18F2N2O3S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(F)c3)c(C=O)c2c1
InChIInChI=1S/C19H18F2N2O3S/c1-3-23(4-2)27(25,26)13-6-8-18-14(10-13)15(11-24)19(22-18)12-5-7-16(20)17(21)9-12/h5-11,22H,3-4H2,1-2H3
InChIKeyGNYFKZXOQPJCSM-UHFFFAOYSA-N
XLogP3.96
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.96
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-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3777313
5-(azepan-1-ylsulfonyl)-2-(3,4-difluorophenyl)-1H-indole-3-carbaldehyde
CID 3765830
2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 4258004
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
5-butyl-2-(3-fluoro-4-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 3834483
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
CID 4209000
2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3822875
2-(4-ethylphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3736320
3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 3428131
2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
CID 58794450

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide (CID 3827821) is 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(F)c3)c(C=O)c2c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide?
The InChIKey is GNYFKZXOQPJCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3S/c1-3-23(4-2)27(25,26)13-6-8-18-14(10-13)15(11-24)19(22-18)12-5-7-16(20)17(21)9-12/h5-11,22H,3-4H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide?
2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide has a molecular weight of 392.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 3827821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).