N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

C12H13N3O3S2 — CID 106382412

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)c2ccc3c(c2)CNC3)cs1
InChIInChI=1S/C12H13N3O3S2/c16-12-15-10(7-19-12)6-14-20(17,18)11-2-1-8-4-13-5-9(8)3-11/h1-3,7,13-14H,4-6H2,(H,15,16)
InChIKeyYRUIJRUGDZMFJK-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.52
Rot. Bonds4

About N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 106382412) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID106382412
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)c2ccc3c(c2)CNC3)cs1
InChIInChI=1S/C12H13N3O3S2/c16-12-15-10(7-19-12)6-14-20(17,18)11-2-1-8-4-13-5-9(8)3-11/h1-3,7,13-14H,4-6H2,(H,15,16)
InChIKeyYRUIJRUGDZMFJK-UHFFFAOYSA-N
XLogP0.52
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 106382412) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is O=c1[nH]c(CNS(=O)(=O)c2ccc3c(c2)CNC3)cs1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is YRUIJRUGDZMFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c16-12-15-10(7-19-12)6-14-20(17,18)11-2-1-8-4-13-5-9(8)3-11/h1-3,7,13-14H,4-6H2,(H,15,16).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 311.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 106382412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).