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

C15H24N2O2S — CID 107421973

IUPACN-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H24N2O2S/c1-3-4-5-6-12(2)17-20(18,19)15-8-7-13-10-16-11-14(13)9-15/h7-9,12,16-17H,3-6,10-11H2,1-2H3
InChIKeyUYTOAMFOEFVMKU-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.54
Rot. Bonds7

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

N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421973) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421973
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H24N2O2S/c1-3-4-5-6-12(2)17-20(18,19)15-8-7-13-10-16-11-14(13)9-15/h7-9,12,16-17H,3-6,10-11H2,1-2H3
InChIKeyUYTOAMFOEFVMKU-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-heptan-2-yl-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-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421967
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
3-fluoro-N-heptan-2-yl-4-methoxybenzenesulfonamide
CID 42960424
4-(heptan-2-ylsulfamoyl)benzoic acid
CID 43420676
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963
N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422097
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
CID 61466426
N-(4-butylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide;hydrochloride
CID 10126239

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421973) is N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is CCCCCC(C)NS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is UYTOAMFOEFVMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-4-5-6-12(2)17-20(18,19)15-8-7-13-10-16-11-14(13)9-15/h7-9,12,16-17H,3-6,10-11H2,1-2H3.
What are the key properties of N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).