2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide

C11H12N2O3S — CID 174935951

IUPAC2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN(C1CC1)C2=O
InChIInChI=1S/C11H12N2O3S/c12-17(15,16)9-3-4-10-7(5-9)6-13(11(10)14)8-1-2-8/h3-5,8H,1-2,6H2,(H2,12,15,16)
InChIKeyJYLPVJJLISNVFO-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.45
Rot. Bonds2

About 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide

2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide (PubChem CID 174935951) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide
PubChem CID174935951
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN(C1CC1)C2=O
InChIInChI=1S/C11H12N2O3S/c12-17(15,16)9-3-4-10-7(5-9)6-13(11(10)14)8-1-2-8/h3-5,8H,1-2,6H2,(H2,12,15,16)
InChIKeyJYLPVJJLISNVFO-UHFFFAOYSA-N
XLogP0.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338818
ethane;5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338817
[4-(3-oxo-1H-isoindol-2-yl)cyclohexyl] methanesulfonate
CID 10518947
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid
CID 68728547
6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonyl chloride
CID 134990448
6-chloro-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-5-sulfonamide;hydrate;hydrochloride
CID 70478439
2-cyclopropyl-5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-3H-isoindol-1-one
CID 169376432
6-amino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one
CID 170046281
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-3H-isoindol-1-one
CID 3062508
methyl N-cyano-N'-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)carbamimidothioate
CID 169362913
2-cyclopropyl-5-(5-methyl-1-phenyltriazol-4-yl)-3H-isoindol-1-one
CID 23158371

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide?
The IUPAC name of 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide (CID 174935951) is 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide.
What is the SMILES notation for 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide?
The canonical SMILES for 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CN(C1CC1)C2=O.
What is the InChIKey of 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide?
The InChIKey is JYLPVJJLISNVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c12-17(15,16)9-3-4-10-7(5-9)6-13(11(10)14)8-1-2-8/h3-5,8H,1-2,6H2,(H2,12,15,16).
What are the key properties of 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide?
2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide has a molecular weight of 252.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide is sourced from PubChem (CID 174935951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).