N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide

C24H21NO5S2 — CID 138964681

IUPACN-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C24H21NO5S2/c1-17-10-13-20(14-11-17)32(28,29)25-19-12-15-22(30-2)24(16-19)31(26,27)23-9-5-7-18-6-3-4-8-21(18)23/h3-16,25H,1-2H3
InChIKeyHYSUVYJPPQTICK-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.79
Rot. Bonds6

About N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide

N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide (PubChem CID 138964681) has the molecular formula C24H21NO5S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide
PubChem CID138964681
Molecular FormulaC24H21NO5S2
Molecular Weight467.57 g/mol
Exact Mass467.09
IUPAC NameN-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C24H21NO5S2/c1-17-10-13-20(14-11-17)32(28,29)25-19-12-15-22(30-2)24(16-19)31(26,27)23-9-5-7-18-6-3-4-8-21(18)23/h3-16,25H,1-2H3
InChIKeyHYSUVYJPPQTICK-UHFFFAOYSA-N
XLogP4.79
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
CID 112983555
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide (CID 138964681) is N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is HYSUVYJPPQTICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5S2/c1-17-10-13-20(14-11-17)32(28,29)25-19-12-15-22(30-2)24(16-19)31(26,27)23-9-5-7-18-6-3-4-8-21(18)23/h3-16,25H,1-2H3.
What are the key properties of N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide?
N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 467.57 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 138964681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).