N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide

C26H20N2O2S — CID 72724173

IUPACN-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2-c2nccc3ccccc23)cc1
InChIInChI=1S/C26H20N2O2S/c1-18-10-13-21(14-11-18)31(29,30)28-24-15-12-19-6-2-4-8-22(19)25(24)26-23-9-5-3-7-20(23)16-17-27-26/h2-17,28H,1H3
InChIKeySGSCBDADDDUGRM-UHFFFAOYSA-N
MW424.53 g/mol
LogP6.16
Rot. Bonds4

About N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide

N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide (PubChem CID 72724173) has the molecular formula C26H20N2O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide
PubChem CID72724173
Molecular FormulaC26H20N2O2S
Molecular Weight424.53 g/mol
Exact Mass424.12
IUPAC NameN-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2-c2nccc3ccccc23)cc1
InChIInChI=1S/C26H20N2O2S/c1-18-10-13-21(14-11-18)31(29,30)28-24-15-12-19-6-2-4-8-22(19)25(24)26-23-9-5-3-7-20(23)16-17-27-26/h2-17,28H,1H3
InChIKeySGSCBDADDDUGRM-UHFFFAOYSA-N
XLogP6.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-isoquinolin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 72724310
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-benzo[h]quinolin-4-ylbenzenesulfonamide
CID 46307991
N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380885
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide
CID 164678226
2-bromoethyl 1-[2,4-dimethyl-6-[(4-methylphenyl)sulfonylamino]phenyl]naphthalene-2-carboxylate
CID 154721510
1-[2-(4-methylphenyl)naphthalen-1-yl]benzo[h]isoquinoline
CID 166440362
N-benzo[h]quinolin-4-yl-2,5-dimethylbenzenesulfonamide
CID 46308022
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164

Frequently Asked Questions

What is the IUPAC name of N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide (CID 72724173) is N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2-c2nccc3ccccc23)cc1.
What is the InChIKey of N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is SGSCBDADDDUGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2S/c1-18-10-13-21(14-11-18)31(29,30)28-24-15-12-19-6-2-4-8-22(19)25(24)26-23-9-5-3-7-20(23)16-17-27-26/h2-17,28H,1H3.
What are the key properties of N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide?
N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 424.53 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 72724173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).