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

C15H18N2O2S2 — CID 107422281

IUPACN-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCc1ccsc1CNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H18N2O2S2/c1-2-11-5-6-20-15(11)10-17-21(18,19)14-4-3-12-8-16-9-13(12)7-14/h3-7,16-17H,2,8-10H2,1H3
InChIKeyLSRJJAHESVWOCR-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.39
Rot. Bonds5

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

N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422281) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422281
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCc1ccsc1CNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H18N2O2S2/c1-2-11-5-6-20-15(11)10-17-21(18,19)14-4-3-12-8-16-9-13(12)7-14/h3-7,16-17H,2,8-10H2,1H3
InChIKeyLSRJJAHESVWOCR-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 82844047
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106382412
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422086
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106373792
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422505
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 120724251

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422281) is N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is CCc1ccsc1CNS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is LSRJJAHESVWOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-2-11-5-6-20-15(11)10-17-21(18,19)14-4-3-12-8-16-9-13(12)7-14/h3-7,16-17H,2,8-10H2,1H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).