4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine

C14H15N3O2S — CID 62231059

IUPAC4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)N2Cc3ccccc3C2)ccn1
InChIInChI=1S/C14H15N3O2S/c1-15-14-8-13(6-7-16-14)20(18,19)17-9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyHFSCWIJSVSIBJE-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.83
Rot. Bonds3

About 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine

4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine (PubChem CID 62231059) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine
PubChem CID62231059
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)N2Cc3ccccc3C2)ccn1
InChIInChI=1S/C14H15N3O2S/c1-15-14-8-13(6-7-16-14)20(18,19)17-9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyHFSCWIJSVSIBJE-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine (CID 62231059) is 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine is CNc1cc(S(=O)(=O)N2Cc3ccccc3C2)ccn1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine?
The InChIKey is HFSCWIJSVSIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-15-14-8-13(6-7-16-14)20(18,19)17-9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine?
4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine has a molecular weight of 289.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62231059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).