4-propoxy-1H-indole-3-sulfonamide

C11H14N2O3S — CID 83174186

IUPAC4-propoxy-1H-indole-3-sulfonamide
SMILESCCCOc1cccc2[nH]cc(S(N)(=O)=O)c12
InChIInChI=1S/C11H14N2O3S/c1-2-6-16-9-5-3-4-8-11(9)10(7-13-8)17(12,14)15/h3-5,7,13H,2,6H2,1H3,(H2,12,14,15)
InChIKeyJBOVQKYAHBONED-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.60
Rot. Bonds4

About 4-propoxy-1H-indole-3-sulfonamide

4-propoxy-1H-indole-3-sulfonamide (PubChem CID 83174186) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-propoxy-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name4-propoxy-1H-indole-3-sulfonamide
PubChem CID83174186
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-propoxy-1H-indole-3-sulfonamide
SMILESCCCOc1cccc2[nH]cc(S(N)(=O)=O)c12
InChIInChI=1S/C11H14N2O3S/c1-2-6-16-9-5-3-4-8-11(9)10(7-13-8)17(12,14)15/h3-5,7,13H,2,6H2,1H3,(H2,12,14,15)
InChIKeyJBOVQKYAHBONED-UHFFFAOYSA-N
XLogP1.60
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone
CID 83162483
3-phenyl-4-propoxy-1H-indole
CID 90764828
3-bromo-4-oxo-4-(4-propoxy-1H-indol-3-yl)butanoic acid
CID 83164418
4-methoxy-1H-indole-3-sulfonyl chloride
CID 24749816
6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
CID 83164068
furan-3-yl-(4-propoxy-1H-indol-3-yl)methanone
CID 83163488
4-ethoxy-3-ethyl-1H-indole
CID 171816854
(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
CID 83164226
piperidin-4-yl-(4-propoxy-1H-indol-3-yl)methanol
CID 83164729
(4-propoxy-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
CID 83162582
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride
CID 158716765

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-1H-indole-3-sulfonamide?
The IUPAC name of 4-propoxy-1H-indole-3-sulfonamide (CID 83174186) is 4-propoxy-1H-indole-3-sulfonamide.
What is the SMILES notation for 4-propoxy-1H-indole-3-sulfonamide?
The canonical SMILES for 4-propoxy-1H-indole-3-sulfonamide is CCCOc1cccc2[nH]cc(S(N)(=O)=O)c12.
What is the InChIKey of 4-propoxy-1H-indole-3-sulfonamide?
The InChIKey is JBOVQKYAHBONED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-6-16-9-5-3-4-8-11(9)10(7-13-8)17(12,14)15/h3-5,7,13H,2,6H2,1H3,(H2,12,14,15).
What are the key properties of 4-propoxy-1H-indole-3-sulfonamide?
4-propoxy-1H-indole-3-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-1H-indole-3-sulfonamide is sourced from PubChem (CID 83174186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).