N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C13H16N4O2S — CID 63823161

IUPACN-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)N2CCc3ccccc3C2)n[nH]1
InChIInChI=1S/C13H16N4O2S/c1-10-8-13(15-14-10)16-20(18,19)17-7-6-11-4-2-3-5-12(11)9-17/h2-5,8H,6-7,9H2,1H3,(H2,14,15,16)
InChIKeyVUJIWKMKTPAADC-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.43
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 63823161) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID63823161
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)N2CCc3ccccc3C2)n[nH]1
InChIInChI=1S/C13H16N4O2S/c1-10-8-13(15-14-10)16-20(18,19)17-7-6-11-4-2-3-5-12(11)9-17/h2-5,8H,6-7,9H2,1H3,(H2,14,15,16)
InChIKeyVUJIWKMKTPAADC-UHFFFAOYSA-N
XLogP1.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 83098085
N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 10891526
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 61021543
3-methyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-1-sulfonamide
CID 63820971
N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 30747014
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
2-(1H-pyrazol-5-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 102691582
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide
CID 167861357
N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104873267
7-deuterio-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 175981728
2-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 50784606

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 63823161) is N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is Cc1cc(NS(=O)(=O)N2CCc3ccccc3C2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is VUJIWKMKTPAADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10-8-13(15-14-10)16-20(18,19)17-7-6-11-4-2-3-5-12(11)9-17/h2-5,8H,6-7,9H2,1H3,(H2,14,15,16).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 63823161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).