N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H15N3O2S — CID 107422143

IUPACN-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H15N3O2S/c1-10-4-5-15-9-14(10)17-20(18,19)13-3-2-11-7-16-8-12(11)6-13/h2-6,9,16-17H,7-8H2,1H3
InChIKeySCIGRCBVVKWFLL-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.79
Rot. Bonds3

About N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422143) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422143
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H15N3O2S/c1-10-4-5-15-9-14(10)17-20(18,19)13-3-2-11-7-16-8-12(11)6-13/h2-6,9,16-17H,7-8H2,1H3
InChIKeySCIGRCBVVKWFLL-UHFFFAOYSA-N
XLogP1.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107589026
N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422470
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422342
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421746
N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421727
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422143) is N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is Cc1ccncc1NS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is SCIGRCBVVKWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-4-5-15-9-14(10)17-20(18,19)13-3-2-11-7-16-8-12(11)6-13/h2-6,9,16-17H,7-8H2,1H3.
What are the key properties of N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).