2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide

C17H17ClN2O4S — CID 58979735

IUPAC2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c1-10(2)20-25(23,24)15-9-11(7-8-14(15)18)17(22)13-6-4-3-5-12(13)16(21)19-17/h3-10,20,22H,1-2H3,(H,19,21)
InChIKeyVNBAVVCFJJIYHO-UHFFFAOYSA-N
MW380.85 g/mol
LogP1.96
Rot. Bonds4

About 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide

2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 58979735) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID58979735
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c1-10(2)20-25(23,24)15-9-11(7-8-14(15)18)17(22)13-6-4-3-5-12(13)16(21)19-17/h3-10,20,22H,1-2H3,(H,19,21)
InChIKeyVNBAVVCFJJIYHO-UHFFFAOYSA-N
XLogP1.96
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide (CID 58979735) is 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VNBAVVCFJJIYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-10(2)20-25(23,24)15-9-11(7-8-14(15)18)17(22)13-6-4-3-5-12(13)16(21)19-17/h3-10,20,22H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide?
2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 58979735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).