2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

C15H13ClN2O4S — CID 13470561

IUPAC2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
SMILESCOC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21
InChIInChI=1S/C15H13ClN2O4S/c1-22-15(11-5-3-2-4-10(11)14(19)18-15)9-6-7-12(16)13(8-9)23(17,20)21/h2-8H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyOBWXDZPCMDDANS-UHFFFAOYSA-N
MW352.80 g/mol
LogP1.58
Rot. Bonds3

About 2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide (PubChem CID 13470561) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is 2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
PubChem CID13470561
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC Name2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
SMILESCOC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21
InChIInChI=1S/C15H13ClN2O4S/c1-22-15(11-5-3-2-4-10(11)14(19)18-15)9-6-7-12(16)13(8-9)23(17,20)21/h2-8H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyOBWXDZPCMDDANS-UHFFFAOYSA-N
XLogP1.58
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 51.58
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-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide (CID 13470561) is 2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide is COC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21.
What is the InChIKey of 2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The InChIKey is OBWXDZPCMDDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-22-15(11-5-3-2-4-10(11)14(19)18-15)9-6-7-12(16)13(8-9)23(17,20)21/h2-8H,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
2-chloro-5-(1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide has a molecular weight of 352.80 g/mol, XLogP of 1.58, 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-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide is sourced from PubChem (CID 13470561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).