1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide

C14H20N2O4S2 — CID 138049346

IUPAC1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide
SMILESC=CCCCCS(=O)(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H20N2O4S2/c1-2-3-4-5-10-21(17,18)16-9-8-12-6-7-13(11-14(12)16)22(15,19)20/h2,6-7,11H,1,3-5,8-10H2,(H2,15,19,20)
InChIKeyNKUHUKWHMLQCOB-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.38
Rot. Bonds7

About 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide

1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 138049346) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide
PubChem CID138049346
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide
SMILESC=CCCCCS(=O)(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H20N2O4S2/c1-2-3-4-5-10-21(17,18)16-9-8-12-6-7-13(11-14(12)16)22(15,19)20/h2,6-7,11H,1,3-5,8-10H2,(H2,15,19,20)
InChIKeyNKUHUKWHMLQCOB-UHFFFAOYSA-N
XLogP1.38
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide
CID 56806249
1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 52882056
1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 60531722
1-ethenylsulfonyl-6-iodo-2,3-dihydroindole
CID 143184500
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 62998922
1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide
CID 111496549
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
1-(4-cyanobutyl)-2,3-dihydroindole-6-sulfonamide
CID 71986862
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504259
4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
CID 103504260

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide (CID 138049346) is 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide is C=CCCCCS(=O)(=O)N1CCc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is NKUHUKWHMLQCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-2-3-4-5-10-21(17,18)16-9-8-12-6-7-13(11-14(12)16)22(15,19)20/h2,6-7,11H,1,3-5,8-10H2,(H2,15,19,20).
What are the key properties of 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide?
1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 344.46 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 138049346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).