N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C12H13N3O3S — CID 107421727

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CNC3)on1
InChIInChI=1S/C12H13N3O3S/c1-8-4-12(18-14-8)15-19(16,17)11-3-2-9-6-13-7-10(9)5-11/h2-5,13,15H,6-7H2,1H3
InChIKeyIWRNFURCSARGHW-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.39
Rot. Bonds3

About N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421727) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421727
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CNC3)on1
InChIInChI=1S/C12H13N3O3S/c1-8-4-12(18-14-8)15-19(16,17)11-3-2-9-6-13-7-10(9)5-11/h2-5,13,15H,6-7H2,1H3
InChIKeyIWRNFURCSARGHW-UHFFFAOYSA-N
XLogP1.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629066
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422143
N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107589026
N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422470
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106419919
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746
N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
CID 62163004
4-(ethylaminomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60822205
2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid
CID 43440462
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422342
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421727) is N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)CNC3)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is IWRNFURCSARGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-4-12(18-14-8)15-19(16,17)11-3-2-9-6-13-7-10(9)5-11/h2-5,13,15H,6-7H2,1H3.
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).