3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide

C16H23N3O3S — CID 155512779

IUPAC3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCN2CCOCC2)[nH]c2ccccc12
InChIInChI=1S/C16H23N3O3S/c1-13-14-5-2-3-6-15(14)18-16(13)23(20,21)17-7-4-8-19-9-11-22-12-10-19/h2-3,5-6,17-18H,4,7-12H2,1H3
InChIKeyXKVKPRMYBRNDEG-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.48
Rot. Bonds6

About 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide

3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide (PubChem CID 155512779) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide
PubChem CID155512779
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCN2CCOCC2)[nH]c2ccccc12
InChIInChI=1S/C16H23N3O3S/c1-13-14-5-2-3-6-15(14)18-16(13)23(20,21)17-7-4-8-19-9-11-22-12-10-19/h2-3,5-6,17-18H,4,7-12H2,1H3
InChIKeyXKVKPRMYBRNDEG-UHFFFAOYSA-N
XLogP1.48
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide?
The IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide (CID 155512779) is 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide.
What is the SMILES notation for 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide?
The canonical SMILES for 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide is Cc1c(S(=O)(=O)NCCCN2CCOCC2)[nH]c2ccccc12.
What is the InChIKey of 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide?
The InChIKey is XKVKPRMYBRNDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-13-14-5-2-3-6-15(14)18-16(13)23(20,21)17-7-4-8-19-9-11-22-12-10-19/h2-3,5-6,17-18H,4,7-12H2,1H3.
What are the key properties of 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide?
3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide has a molecular weight of 337.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-morpholin-4-ylpropyl)-1H-indole-2-sulfonamide is sourced from PubChem (CID 155512779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).