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

C13H16N4O3S — CID 106419919

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccc3c(c2)CNC3)no1
InChIInChI=1S/C13H16N4O3S/c1-9-16-13(17-20-9)4-5-15-21(18,19)12-3-2-10-7-14-8-11(10)6-12/h2-3,6,14-15H,4-5,7-8H2,1H3
InChIKeyKKKQLAPUKADHRT-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.50
Rot. Bonds5

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 106419919) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID106419919
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccc3c(c2)CNC3)no1
InChIInChI=1S/C13H16N4O3S/c1-9-16-13(17-20-9)4-5-15-21(18,19)12-3-2-10-7-14-8-11(10)6-12/h2-3,6,14-15H,4-5,7-8H2,1H3
InChIKeyKKKQLAPUKADHRT-UHFFFAOYSA-N
XLogP0.50
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91907142
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422069
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227
N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421727
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 106402225
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106373792
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 114264970
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 104859220
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 106419919) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is Cc1nc(CCNS(=O)(=O)c2ccc3c(c2)CNC3)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is KKKQLAPUKADHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-9-16-13(17-20-9)4-5-15-21(18,19)12-3-2-10-7-14-8-11(10)6-12/h2-3,6,14-15H,4-5,7-8H2,1H3.
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 106419919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).