N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide

C19H21N3O4S — CID 120664335

IUPACN-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCN1C(=O)c2ccc(S(=O)(=O)N(CCCN)Cc3ccccc3)cc2C1=O
InChIInChI=1S/C19H21N3O4S/c1-21-18(23)16-9-8-15(12-17(16)19(21)24)27(25,26)22(11-5-10-20)13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13,20H2,1H3
InChIKeyFTLGZNGRXOEBRT-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.45
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide

N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 120664335) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
PubChem CID120664335
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCN1C(=O)c2ccc(S(=O)(=O)N(CCCN)Cc3ccccc3)cc2C1=O
InChIInChI=1S/C19H21N3O4S/c1-21-18(23)16-9-8-15(12-17(16)19(21)24)27(25,26)22(11-5-10-20)13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13,20H2,1H3
InChIKeyFTLGZNGRXOEBRT-UHFFFAOYSA-N
XLogP1.45
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-benzyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 120664430
N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 120664178
N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
CID 120664319
N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 51702772
N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide
CID 107366734
N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 120664173
N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 51702797
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N-(3-aminopropyl)-N-benzyl-3-fluoro-4-methoxy-5-nitrobenzenesulfonamide
CID 120713867
N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 120664341

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide (CID 120664335) is N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide is CN1C(=O)c2ccc(S(=O)(=O)N(CCCN)Cc3ccccc3)cc2C1=O.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is FTLGZNGRXOEBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-21-18(23)16-9-8-15(12-17(16)19(21)24)27(25,26)22(11-5-10-20)13-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13,20H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 120664335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).