4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide

C26H28N4O4S — CID 122588219

IUPAC4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CNC3=O)c1
InChIInChI=1S/C26H28N4O4S/c1-15(2)34-24-12-20(35(32,33)30(3)19-5-6-19)7-9-21(24)18-11-23(25(27)28-13-18)16-4-8-22-17(10-16)14-29-26(22)31/h4,7-13,15,19H,5-6,14H2,1-3H3,(H2,27,28)(H,29,31)
InChIKeyVOYGQOFUUYHTPQ-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.81
Rot. Bonds7

About 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide

4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide (PubChem CID 122588219) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide
PubChem CID122588219
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CNC3=O)c1
InChIInChI=1S/C26H28N4O4S/c1-15(2)34-24-12-20(35(32,33)30(3)19-5-6-19)7-9-21(24)18-11-23(25(27)28-13-18)16-4-8-22-17(10-16)14-29-26(22)31/h4,7-13,15,19H,5-6,14H2,1-3H3,(H2,27,28)(H,29,31)
InChIKeyVOYGQOFUUYHTPQ-UHFFFAOYSA-N
XLogP3.81
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide (CID 122588219) is 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide is CC(C)Oc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CNC3=O)c1.
What is the InChIKey of 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide?
The InChIKey is VOYGQOFUUYHTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-15(2)34-24-12-20(35(32,33)30(3)19-5-6-19)7-9-21(24)18-11-23(25(27)28-13-18)16-4-8-22-17(10-16)14-29-26(22)31/h4,7-13,15,19H,5-6,14H2,1-3H3,(H2,27,28)(H,29,31).
What are the key properties of 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide?
4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide has a molecular weight of 492.60 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(1-oxo-2,3-dihydroisoindol-5-yl)-3-pyridinyl]-N-cyclopropyl-N-methyl-3-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 122588219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).