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

C15H12Cl2N2O3S2 — CID 3489587

IUPAC2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)sc3Cl)c(C=O)c2c1
InChIInChI=1S/C15H12Cl2N2O3S2/c1-19(2)24(21,22)8-3-4-12-9(5-8)11(7-20)14(18-12)10-6-13(16)23-15(10)17/h3-7,18H,1-2H3
InChIKeyONFSDVMLUZJSKD-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.27
Rot. Bonds4

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

2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide (PubChem CID 3489587) has the molecular formula C15H12Cl2N2O3S2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
PubChem CID3489587
Molecular FormulaC15H12Cl2N2O3S2
Molecular Weight403.31 g/mol
Exact Mass401.97
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)sc3Cl)c(C=O)c2c1
InChIInChI=1S/C15H12Cl2N2O3S2/c1-19(2)24(21,22)8-3-4-12-9(5-8)11(7-20)14(18-12)10-6-13(16)23-15(10)17/h3-7,18H,1-2H3
InChIKeyONFSDVMLUZJSKD-UHFFFAOYSA-N
XLogP4.27
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.27
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

3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 3428131
3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide
CID 3830629
2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3802955
3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 3710473
2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 3827821
5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde
CID 3446972
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
2-tert-butyl-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 4258004
2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3826061
2-(5-chloro-2-methoxyphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3778869
2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide
CID 12001730

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide (CID 3489587) is 2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)sc3Cl)c(C=O)c2c1.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide?
The InChIKey is ONFSDVMLUZJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3S2/c1-19(2)24(21,22)8-3-4-12-9(5-8)11(7-20)14(18-12)10-6-13(16)23-15(10)17/h3-7,18H,1-2H3.
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide?
2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide has a molecular weight of 403.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 3489587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).