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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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).