2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

C15H13ClN2O4S — CID 162641844

IUPAC2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)NC2(OC)c1ccc(Cl)c(S(N)(=O)=O)c1
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)/i2D,3D,4D,5D
InChIKeyOBWXDZPCMDDANS-QFFDRWTDSA-N
MW356.82 g/mol
LogP1.58
Rot. Bonds3

About 2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide

2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide (PubChem CID 162641844) has the molecular formula C15H13ClN2O4S and a molecular weight of 356.82 g/mol. Its IUPAC name is 2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
PubChem CID162641844
Molecular FormulaC15H13ClN2O4S
Molecular Weight356.82 g/mol
Exact Mass356.05
IUPAC Name2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)NC2(OC)c1ccc(Cl)c(S(N)(=O)=O)c1
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)/i2D,3D,4D,5D
InChIKeyOBWXDZPCMDDANS-QFFDRWTDSA-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 ≤ 500356.82
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-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide (CID 162641844) is 2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide is [2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)NC2(OC)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
The InChIKey is OBWXDZPCMDDANS-QFFDRWTDSA-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)/i2D,3D,4D,5D.
What are the key properties of 2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide?
2-chloro-5-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide has a molecular weight of 356.82 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-(4,5,6,7-tetradeuterio-1-methoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide is sourced from PubChem (CID 162641844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).