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

C14H22N2O2S — CID 107421853

IUPACN-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H22N2O2S/c1-4-7-16(11(2)3)19(17,18)14-6-5-12-9-15-10-13(12)8-14/h5-6,8,11,15H,4,7,9-10H2,1-3H3
InChIKeyJXARDHQJDOSBIU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.10
Rot. Bonds5

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

N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421853) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421853
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H22N2O2S/c1-4-7-16(11(2)3)19(17,18)14-6-5-12-9-15-10-13(12)8-14/h5-6,8,11,15H,4,7,9-10H2,1-3H3
InChIKeyJXARDHQJDOSBIU-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421858
N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422322
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422373
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
N-(2-aminoethyl)-N-propan-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348755
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422496
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711
N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421973

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421853) is N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide is CCCN(C(C)C)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is JXARDHQJDOSBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-7-16(11(2)3)19(17,18)14-6-5-12-9-15-10-13(12)8-14/h5-6,8,11,15H,4,7,9-10H2,1-3H3.
What are the key properties of N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).