N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C15H16N2O2S — CID 10891526

IUPACN-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N2O2S/c18-20(19,16-15-8-2-1-3-9-15)17-11-10-13-6-4-5-7-14(13)12-17/h1-9,16H,10-12H2
InChIKeyIGZCRXBELXLUCN-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.40
Rot. Bonds3

About N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 10891526) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID10891526
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C15H16N2O2S/c18-20(19,16-15-8-2-1-3-9-15)17-11-10-13-6-4-5-7-14(13)12-17/h1-9,16H,10-12H2
InChIKeyIGZCRXBELXLUCN-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 30747014
N'-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide
CID 71936989
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 25334936
N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 63823161
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 104873267
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427470
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-methylpropanoic acid
CID 62675363
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 83098085
N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 31701157
2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-3-methoxypropanoic acid
CID 81086162

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 10891526) is N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is O=S(=O)(Nc1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is IGZCRXBELXLUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-20(19,16-15-8-2-1-3-9-15)17-11-10-13-6-4-5-7-14(13)12-17/h1-9,16H,10-12H2.
What are the key properties of N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 10891526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).