1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide

C18H17N3O5S2 — CID 24947555

IUPAC1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C#N)c12
InChIInChI=1S/C18H17N3O5S2/c1-26-11-10-20-27(22,23)17-13-21(16-9-5-6-14(12-19)18(16)17)28(24,25)15-7-3-2-4-8-15/h2-9,13,20H,10-11H2,1H3
InChIKeyWETCELFSPUJVEF-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.67
Rot. Bonds7

About 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide

1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide (PubChem CID 24947555) has the molecular formula C18H17N3O5S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide
PubChem CID24947555
Molecular FormulaC18H17N3O5S2
Molecular Weight419.48 g/mol
Exact Mass419.06
IUPAC Name1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C#N)c12
InChIInChI=1S/C18H17N3O5S2/c1-26-11-10-20-27(22,23)17-13-21(16-9-5-6-14(12-19)18(16)17)28(24,25)15-7-3-2-4-8-15/h2-9,13,20H,10-11H2,1H3
InChIKeyWETCELFSPUJVEF-UHFFFAOYSA-N
XLogP1.67
TPSA118.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide
CID 24946119
1-(benzenesulfonyl)-4-ethylindole-3-sulfonic acid
CID 87727667
N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063792
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3-cyano-4-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 171134172
1-(benzenesulfonyl)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)indole-3-sulfonamide
CID 24947558
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-[2-(2-methoxyethoxy)ethylsulfonyl]benzene-1,2-dicarbonitrile
CID 86241037
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
(3S)-3-[1-(benzenesulfonyl)indol-3-yl]butanenitrile
CID 10892690
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide (CID 24947555) is 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide is COCCNS(=O)(=O)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C#N)c12.
What is the InChIKey of 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide?
The InChIKey is WETCELFSPUJVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S2/c1-26-11-10-20-27(22,23)17-13-21(16-9-5-6-14(12-19)18(16)17)28(24,25)15-7-3-2-4-8-15/h2-9,13,20H,10-11H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide?
1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide has a molecular weight of 419.48 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide is sourced from PubChem (CID 24947555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).