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

C17H17ClN2O4S — CID 625586

IUPAC2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C2(OC)c3ccccc3C(=O)N2C)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c1-19-25(22,23)15-10-11(8-9-14(15)18)17(24-3)13-7-5-4-6-12(13)16(21)20(17)2/h4-10,19H,1-3H3
InChIKeyHCIJSSJKXCWLPY-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.18
Rot. Bonds4

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

2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide (PubChem CID 625586) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
PubChem CID625586
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C2(OC)c3ccccc3C(=O)N2C)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c1-19-25(22,23)15-10-11(8-9-14(15)18)17(24-3)13-7-5-4-6-12(13)16(21)20(17)2/h4-10,19H,1-3H3
InChIKeyHCIJSSJKXCWLPY-UHFFFAOYSA-N
XLogP2.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide (CID 625586) is 2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C2(OC)c3ccccc3C(=O)N2C)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is HCIJSSJKXCWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-19-25(22,23)15-10-11(8-9-14(15)18)17(24-3)13-7-5-4-6-12(13)16(21)20(17)2/h4-10,19H,1-3H3.
What are the key properties of 2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide?
2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-methoxy-2-methyl-3-oxoisoindol-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 625586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).