N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide

C13H20N2O2S — CID 107421711

IUPACN-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H20N2O2S/c1-3-12(4-2)15-18(16,17)13-6-5-10-8-14-9-11(10)7-13/h5-7,12,14-15H,3-4,8-9H2,1-2H3
InChIKeyRICSZMXRRGNOTM-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.76
Rot. Bonds5

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

N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421711) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421711
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H20N2O2S/c1-3-12(4-2)15-18(16,17)13-6-5-10-8-14-9-11(10)7-13/h5-7,12,14-15H,3-4,8-9H2,1-2H3
InChIKeyRICSZMXRRGNOTM-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421973
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422097
N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421967
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421881
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421858
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
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-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421711) is N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is CCC(CC)NS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is RICSZMXRRGNOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-12(4-2)15-18(16,17)13-6-5-10-8-14-9-11(10)7-13/h5-7,12,14-15H,3-4,8-9H2,1-2H3.
What are the key properties of N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).