1-(4-methoxybutyl)indole-3-sulfonamide

C13H18N2O3S — CID 113437295

IUPAC1-(4-methoxybutyl)indole-3-sulfonamide
SMILESCOCCCCn1cc(S(N)(=O)=O)c2ccccc21
InChIInChI=1S/C13H18N2O3S/c1-18-9-5-4-8-15-10-13(19(14,16)17)11-6-2-3-7-12(11)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16,17)
InChIKeyXQMNNSQFAQUYAZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.72
Rot. Bonds6

About 1-(4-methoxybutyl)indole-3-sulfonamide

1-(4-methoxybutyl)indole-3-sulfonamide (PubChem CID 113437295) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(4-methoxybutyl)indole-3-sulfonamide.

Molecular Properties

Compound Name1-(4-methoxybutyl)indole-3-sulfonamide
PubChem CID113437295
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-(4-methoxybutyl)indole-3-sulfonamide
SMILESCOCCCCn1cc(S(N)(=O)=O)c2ccccc21
InChIInChI=1S/C13H18N2O3S/c1-18-9-5-4-8-15-10-13(19(14,16)17)11-6-2-3-7-12(11)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16,17)
InChIKeyXQMNNSQFAQUYAZ-UHFFFAOYSA-N
XLogP1.72
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-(4-methoxybutyl)indole-3-sulfonamide
CID 113437296
1-methylindole-3-sulfonamide
CID 18331867
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927
4-(3-methoxypropoxy)naphthalene-1-sulfonamide
CID 60926106
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
4-(3-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62803414
4-fluoro-1-pentylindole-3-sulfonamide
CID 82793460
1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81339724
1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 83197572
4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide
CID 83166305
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)indole-3-sulfonamide?
The IUPAC name of 1-(4-methoxybutyl)indole-3-sulfonamide (CID 113437295) is 1-(4-methoxybutyl)indole-3-sulfonamide.
What is the SMILES notation for 1-(4-methoxybutyl)indole-3-sulfonamide?
The canonical SMILES for 1-(4-methoxybutyl)indole-3-sulfonamide is COCCCCn1cc(S(N)(=O)=O)c2ccccc21.
What is the InChIKey of 1-(4-methoxybutyl)indole-3-sulfonamide?
The InChIKey is XQMNNSQFAQUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-18-9-5-4-8-15-10-13(19(14,16)17)11-6-2-3-7-12(11)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,14,16,17).
What are the key properties of 1-(4-methoxybutyl)indole-3-sulfonamide?
1-(4-methoxybutyl)indole-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)indole-3-sulfonamide is sourced from PubChem (CID 113437295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).