N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide

C14H18N2O5S — CID 3615128

IUPACN-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide
SMILESCOC(CN(C)S(=O)(=O)c1ccc2[nH]cc(C=O)c2c1)OC
InChIInChI=1S/C14H18N2O5S/c1-16(8-14(20-2)21-3)22(18,19)11-4-5-13-12(6-11)10(9-17)7-15-13/h4-7,9,14-15H,8H2,1-3H3
InChIKeyFTTDQMBBGXZHSA-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.22
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide

N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide (PubChem CID 3615128) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide
PubChem CID3615128
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC NameN-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide
SMILESCOC(CN(C)S(=O)(=O)c1ccc2[nH]cc(C=O)c2c1)OC
InChIInChI=1S/C14H18N2O5S/c1-16(8-14(20-2)21-3)22(18,19)11-4-5-13-12(6-11)10(9-17)7-15-13/h4-7,9,14-15H,8H2,1-3H3
InChIKeyFTTDQMBBGXZHSA-UHFFFAOYSA-N
XLogP1.22
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1H-Indole-3-carboxylic acid, 5-(4-morpholinylsulfonyl)-
CID 658161
1-(Phenylsulfonyl)-3-indolecarboxaldehyde
CID 363334
1-Ethyl-5-(morpholine-4-sulfonyl)-1H-indole-3-carbaldehyde
CID 4166421
N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide
CID 9441664
1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-
CID 762629
N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2109943
1-Methyl-5-(morpholine-4-sulfonyl)-1H-indole-3-carbaldehyde
CID 3354057
5-(Piperidine-1-sulfonyl)-1H-indole-3-carbaldehyde
CID 3525343
5-(Morpholine-4-sulfonyl)-1H-indole-3-carbaldehyde
CID 4102629
1-(2-methoxyethyl)-N-(2-sulfamoylethyl)indole-3-carboxamide
CID 51097413
6-(2,2-dimethoxyethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 53380320
N-tosylindole-3-carboxamide
CID 56656248

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide (CID 3615128) is N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide is COC(CN(C)S(=O)(=O)c1ccc2[nH]cc(C=O)c2c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide?
The InChIKey is FTTDQMBBGXZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-16(8-14(20-2)21-3)22(18,19)11-4-5-13-12(6-11)10(9-17)7-15-13/h4-7,9,14-15H,8H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide?
N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide has a molecular weight of 326.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-formyl-N-methyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 3615128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).