N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C13H16N4O2S — CID 107422470

IUPACN-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H16N4O2S/c1-9-13(8-17(2)15-9)16-20(18,19)12-4-3-10-6-14-7-11(10)5-12/h3-5,8,14,16H,6-7H2,1-2H3
InChIKeyMGPZLCLYNQDLOS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.13
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422470) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422470
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H16N4O2S/c1-9-13(8-17(2)15-9)16-20(18,19)12-4-3-10-6-14-7-11(10)5-12/h3-5,8,14,16H,6-7H2,1-2H3
InChIKeyMGPZLCLYNQDLOS-UHFFFAOYSA-N
XLogP1.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803496
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422143
4-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920416
N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421727
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide
CID 102806229
N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107589026
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 102807216
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107626835
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422342
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422086

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422470) is N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is MGPZLCLYNQDLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-13(8-17(2)15-9)16-20(18,19)12-4-3-10-6-14-7-11(10)5-12/h3-5,8,14,16H,6-7H2,1-2H3.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).