6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide

C14H12ClN3O3S — CID 13473194

IUPAC6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)CN(Cc1cccnc1)C2=O
InChIInChI=1S/C14H12ClN3O3S/c15-12-4-10-8-18(7-9-2-1-3-17-6-9)14(19)11(10)5-13(12)22(16,20)21/h1-6H,7-8H2,(H2,16,20,21)
InChIKeyVLXAOPSDECFTFB-UHFFFAOYSA-N
MW337.79 g/mol
LogP1.54
Rot. Bonds3

About 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide

6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide (PubChem CID 13473194) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide
PubChem CID13473194
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC Name6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)CN(Cc1cccnc1)C2=O
InChIInChI=1S/C14H12ClN3O3S/c15-12-4-10-8-18(7-9-2-1-3-17-6-9)14(19)11(10)5-13(12)22(16,20)21/h1-6H,7-8H2,(H2,16,20,21)
InChIKeyVLXAOPSDECFTFB-UHFFFAOYSA-N
XLogP1.54
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-5-carboxamide
CID 10047137
2-benzyl-3-oxo-1H-isoindole-5-sulfonyl chloride
CID 53435689
3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxylate
CID 7061762
2-benzyl-6-(dichloromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 11565772
2-benzyl-5-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
CID 171354987
3-oxido-5-(pyridin-3-ylmethyl)-4H-pyrrolo[3,4-c][1,2,5]oxadiazol-3-ium-6-one
CID 18957963
2-benzyl-3-oxo-1H-isoindole-5-carboxylic acid
CID 67265769
4-(2,3-dichlorophenyl)-1-methyl-6-(pyridin-3-ylmethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42792903
7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(pyridin-3-ylmethyl)-3H-isoindol-1-one
CID 5309062
2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 66960528
6-chloro-1,3-bis(pyridin-3-ylmethyl)pyrimidine-2,4-dione
CID 170005837
2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide?
The IUPAC name of 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide (CID 13473194) is 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide?
The canonical SMILES for 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)CN(Cc1cccnc1)C2=O.
What is the InChIKey of 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide?
The InChIKey is VLXAOPSDECFTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c15-12-4-10-8-18(7-9-2-1-3-17-6-9)14(19)11(10)5-13(12)22(16,20)21/h1-6H,7-8H2,(H2,16,20,21).
What are the key properties of 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide?
6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide has a molecular weight of 337.79 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 13473194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).