N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide

C15H17N3O2S — CID 107422496

IUPACN-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H17N3O2S/c1-2-18(14-5-7-16-8-6-14)21(19,20)15-4-3-12-10-17-11-13(12)9-15/h3-9,17H,2,10-11H2,1H3
InChIKeyPCEXREWXXYRILC-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.90
Rot. Bonds4

About N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide

N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422496) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422496
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H17N3O2S/c1-2-18(14-5-7-16-8-6-14)21(19,20)15-4-3-12-10-17-11-13(12)9-15/h3-9,17H,2,10-11H2,1H3
InChIKeyPCEXREWXXYRILC-UHFFFAOYSA-N
XLogP1.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
N-butan-2-yl-N-ethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421858
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422373
N-propan-2-yl-N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421853
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937084
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936691
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421940
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422322

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422496) is N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is CCN(c1ccncc1)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is PCEXREWXXYRILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-18(14-5-7-16-8-6-14)21(19,20)15-4-3-12-10-17-11-13(12)9-15/h3-9,17H,2,10-11H2,1H3.
What are the key properties of N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).