N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide

C19H20N2O2S — CID 164954176

IUPACN-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc2cnccc2c1)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O2S/c1-3-19(15-6-4-14(2)5-7-15)21-24(22,23)18-9-8-17-13-20-11-10-16(17)12-18/h4-13,19,21H,3H2,1-2H3
InChIKeyVSBLKXVJMAXDOA-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide

N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide (PubChem CID 164954176) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide
PubChem CID164954176
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccc2cnccc2c1)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O2S/c1-3-19(15-6-4-14(2)5-7-15)21-24(22,23)18-9-8-17-13-20-11-10-16(17)12-18/h4-13,19,21H,3H2,1-2H3
InChIKeyVSBLKXVJMAXDOA-UHFFFAOYSA-N
XLogP3.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-sulfonamide
CID 164954177
N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride
CID 57411489
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43001317
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61247679
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
N-[1-[2-(4-pyridin-4-ylphenyl)ethylamino]propan-2-yl]isoquinoline-6-sulfonamide
CID 76527354
N-[1-(prop-2-enylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride
CID 76527234
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide (CID 164954176) is N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide is CCC(NS(=O)(=O)c1ccc2cnccc2c1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide?
The InChIKey is VSBLKXVJMAXDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-19(15-6-4-14(2)5-7-15)21-24(22,23)18-9-8-17-13-20-11-10-16(17)12-18/h4-13,19,21H,3H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide?
N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide is sourced from PubChem (CID 164954176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).