N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H14BrN3O2S — CID 107422342

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H14BrN3O2S/c1-9-4-12(15)8-17-14(9)18-21(19,20)13-3-2-10-6-16-7-11(10)5-13/h2-5,8,16H,6-7H2,1H3,(H,17,18)
InChIKeyJPTIVPPULJIIDH-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.56
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422342) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422342
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H14BrN3O2S/c1-9-4-12(15)8-17-14(9)18-21(19,20)13-3-2-10-6-16-7-11(10)5-13/h2-5,8,16H,6-7H2,1H3,(H,17,18)
InChIKeyJPTIVPPULJIIDH-UHFFFAOYSA-N
XLogP2.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422143
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
CID 83170253
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 81422727
N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107589026
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422342) is N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is JPTIVPPULJIIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c1-9-4-12(15)8-17-14(9)18-21(19,20)13-3-2-10-6-16-7-11(10)5-13/h2-5,8,16H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 368.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).