5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide

C14H12ClN3O3S — CID 169439526

IUPAC5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide
SMILESNC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21
InChIInChI=1S/C14H12ClN3O3S/c15-11-6-5-8(7-12(11)22(17,20)21)14(16)10-4-2-1-3-9(10)13(19)18-14/h1-7H,16H2,(H,18,19)(H2,17,20,21)
InChIKeyLXSIQCSZAOKUKH-UHFFFAOYSA-N
MW337.79 g/mol
LogP0.89
Rot. Bonds2

About 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide

5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide (PubChem CID 169439526) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide
PubChem CID169439526
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC Name5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide
SMILESNC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21
InChIInChI=1S/C14H12ClN3O3S/c15-11-6-5-8(7-12(11)22(17,20)21)14(16)10-4-2-1-3-9(10)13(19)18-14/h1-7H,16H2,(H,18,19)(H2,17,20,21)
InChIKeyLXSIQCSZAOKUKH-UHFFFAOYSA-N
XLogP0.89
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide?
The IUPAC name of 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide (CID 169439526) is 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide is NC1(c2ccc(Cl)c(S(N)(=O)=O)c2)NC(=O)c2ccccc21.
What is the InChIKey of 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide?
The InChIKey is LXSIQCSZAOKUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c15-11-6-5-8(7-12(11)22(17,20)21)14(16)10-4-2-1-3-9(10)13(19)18-14/h1-7H,16H2,(H,18,19)(H2,17,20,21).
What are the key properties of 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide?
5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide has a molecular weight of 337.79 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-oxo-2H-isoindol-1-yl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 169439526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).