N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide

C11H12N2O3S — CID 129205364

IUPACN-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide
SMILESO=C1NCc2cc(S(=O)(=O)NC3CC3)ccc21
InChIInChI=1S/C11H12N2O3S/c14-11-10-4-3-9(5-7(10)6-12-11)17(15,16)13-8-1-2-8/h3-5,8,13H,1-2,6H2,(H,12,14)
InChIKeyRHVNJLKDZJJYAT-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.37
Rot. Bonds3

About N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide

N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide (PubChem CID 129205364) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide
PubChem CID129205364
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide
SMILESO=C1NCc2cc(S(=O)(=O)NC3CC3)ccc21
InChIInChI=1S/C11H12N2O3S/c14-11-10-4-3-9(5-7(10)6-12-11)17(15,16)13-8-1-2-8/h3-5,8,13H,1-2,6H2,(H,12,14)
InChIKeyRHVNJLKDZJJYAT-UHFFFAOYSA-N
XLogP0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940832
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
1-oxo-N-(oxolan-3-yl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 126783536
N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
CID 5115250
N-(3-methylcyclopentyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 114548153
N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702
4-[5-amino-6-(4,4-dideuterio-1-oxo-2,3-dihydroisoquinolin-6-yl)pyrazin-2-yl]-N-cyclopropylbenzenesulfonamide
CID 88924728
N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43389822
N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422453
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 24988892
N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 50760174

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide (CID 129205364) is N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide is O=C1NCc2cc(S(=O)(=O)NC3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide?
The InChIKey is RHVNJLKDZJJYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-11-10-4-3-9(5-7(10)6-12-11)17(15,16)13-8-1-2-8/h3-5,8,13H,1-2,6H2,(H,12,14).
What are the key properties of N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide?
N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide has a molecular weight of 252.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-oxo-2,3-dihydroisoindole-5-sulfonamide is sourced from PubChem (CID 129205364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).