N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H15N3O2S — CID 107421821

IUPACN-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H15N3O2S/c18-20(19,17-8-11-3-5-15-6-4-11)14-2-1-12-9-16-10-13(12)7-14/h1-7,16-17H,8-10H2
InChIKeyATTNMNGQOPOOPZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.16
Rot. Bonds4

About N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421821) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421821
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H15N3O2S/c18-20(19,17-8-11-3-5-15-6-4-11)14-2-1-12-9-16-10-13(12)7-14/h1-7,16-17H,8-10H2
InChIKeyATTNMNGQOPOOPZ-UHFFFAOYSA-N
XLogP1.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106382412
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422086
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106373792
N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422281
2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
CID 1102995
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
CID 59763032
4-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-N,2-dimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120876482

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421821) is N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is O=S(=O)(NCc1ccncc1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is ATTNMNGQOPOOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-20(19,17-8-11-3-5-15-6-4-11)14-2-1-12-9-16-10-13(12)7-14/h1-7,16-17H,8-10H2.
What are the key properties of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).