N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C14H18N4O2S — CID 107421967

IUPACN-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N4O2S/c1-11(10-18-6-2-5-16-18)17-21(19,20)14-4-3-12-8-15-9-13(12)7-14/h2-7,11,15,17H,8-10H2,1H3
InChIKeyGBHCTINXTDZAAT-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.85
Rot. Bonds5

About N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421967) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421967
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N4O2S/c1-11(10-18-6-2-5-16-18)17-21(19,20)14-4-3-12-8-15-9-13(12)7-14/h2-7,11,15,17H,8-10H2,1H3
InChIKeyGBHCTINXTDZAAT-UHFFFAOYSA-N
XLogP0.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 94023228
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
N-heptan-2-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421973
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711
2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94024841
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94181205
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009480
6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 115602607
3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421967) is N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide is CC(Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is GBHCTINXTDZAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11(10-18-6-2-5-16-18)17-21(19,20)14-4-3-12-8-15-9-13(12)7-14/h2-7,11,15,17H,8-10H2,1H3.
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).