N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H22N2O2S — CID 107422191

IUPACN-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H22N2O2S/c1-2-3-4-5-8-16-19(17,18)14-7-6-12-10-15-11-13(12)9-14/h6-7,9,15-16H,2-5,8,10-11H2,1H3
InChIKeyJXIWFOQTVHRXJP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.15
Rot. Bonds7

About N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide

N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422191) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422191
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H22N2O2S/c1-2-3-4-5-8-16-19(17,18)14-7-6-12-10-15-11-13(12)9-14/h6-7,9,15-16H,2-5,8,10-11H2,1H3
InChIKeyJXIWFOQTVHRXJP-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 114264970
N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421973
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
N-butyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 11450546
N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
CID 10126239
N-nonylnaphthalene-2-sulfonamide
CID 19681387
9-hydroxyimino-2-N,7-N-dioctadecylfluorene-2,7-disulfonamide
CID 21238299
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422281

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422191) is N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide is CCCCCCNS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is JXIWFOQTVHRXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-3-4-5-8-16-19(17,18)14-7-6-12-10-15-11-13(12)9-14/h6-7,9,15-16H,2-5,8,10-11H2,1H3.
What are the key properties of N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).