2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide

C16H15ClN2O4S — CID 154163731

IUPAC2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C2(O)c3ccccc3C(=O)N2C)ccc1Cl
InChIInChI=1S/C16H15ClN2O4S/c1-18-24(22,23)14-9-10(7-8-13(14)17)16(21)12-6-4-3-5-11(12)15(20)19(16)2/h3-9,18,21H,1-2H3
InChIKeyGMVCUWTYHUYQER-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.53
Rot. Bonds3

About 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide

2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide (PubChem CID 154163731) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
PubChem CID154163731
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C2(O)c3ccccc3C(=O)N2C)ccc1Cl
InChIInChI=1S/C16H15ClN2O4S/c1-18-24(22,23)14-9-10(7-8-13(14)17)16(21)12-6-4-3-5-11(12)15(20)19(16)2/h3-9,18,21H,1-2H3
InChIKeyGMVCUWTYHUYQER-UHFFFAOYSA-N
XLogP1.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide (CID 154163731) is 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C2(O)c3ccccc3C(=O)N2C)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is GMVCUWTYHUYQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-18-24(22,23)14-9-10(7-8-13(14)17)16(21)12-6-4-3-5-11(12)15(20)19(16)2/h3-9,18,21H,1-2H3.
What are the key properties of 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide?
2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 366.83 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 154163731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).