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

C11H16N2O2S — CID 107421701

IUPACN-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C11H16N2O2S/c1-2-5-13-16(14,15)11-4-3-9-7-12-8-10(9)6-11/h3-4,6,12-13H,2,5,7-8H2,1H3
InChIKeyLWCIHBVJZPOOBQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.98
Rot. Bonds4

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

N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421701) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421701
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C11H16N2O2S/c1-2-5-13-16(14,15)11-4-3-9-7-12-8-10(9)6-11/h3-4,6,12-13H,2,5,7-8H2,1H3
InChIKeyLWCIHBVJZPOOBQ-UHFFFAOYSA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 114264970
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
3-(difluoromethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11566312
N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422281
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422169
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106419919
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422069
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106373792
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421973

Frequently Asked Questions

What is the IUPAC name of N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421701) is N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is LWCIHBVJZPOOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-5-13-16(14,15)11-4-3-9-7-12-8-10(9)6-11/h3-4,6,12-13H,2,5,7-8H2,1H3.
What are the key properties of N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 240.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).