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

C20H22N4O2S — CID 166251466

IUPAC2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide
SMILESCN1CCc2c(cccc2S(=O)(=O)NCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C20H22N4O2S/c1-23-11-10-19-17(15-23)6-5-9-20(19)27(25,26)22-13-16-12-21-24(14-16)18-7-3-2-4-8-18/h2-9,12,14,22H,10-11,13,15H2,1H3
InChIKeyAVDCDRZWMGFYEZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.34
Rot. Bonds5

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

2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide (PubChem CID 166251466) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide
PubChem CID166251466
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide
SMILESCN1CCc2c(cccc2S(=O)(=O)NCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C20H22N4O2S/c1-23-11-10-19-17(15-23)6-5-9-20(19)27(25,26)22-13-16-12-21-24(14-16)18-7-3-2-4-8-18/h2-9,12,14,22H,10-11,13,15H2,1H3
InChIKeyAVDCDRZWMGFYEZ-UHFFFAOYSA-N
XLogP2.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4-trifluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 31841722
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 16616688
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 31111062
N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide
CID 126841440
4-chloro-2-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 37262748
3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505346
4-methoxy-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 16962865
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104
N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43824580
1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 95307548

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide?
The IUPAC name of 2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide (CID 166251466) is 2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide is CN1CCc2c(cccc2S(=O)(=O)NCc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide?
The InChIKey is AVDCDRZWMGFYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-23-11-10-19-17(15-23)6-5-9-20(19)27(25,26)22-13-16-12-21-24(14-16)18-7-3-2-4-8-18/h2-9,12,14,22H,10-11,13,15H2,1H3.
What are the key properties of 2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide?
2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide is sourced from PubChem (CID 166251466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).