N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide

C20H19NO2S — CID 100820567

IUPACN-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c(C)c1
InChIInChI=1S/C20H19NO2S/c1-13-6-10-18(14(2)12-13)21-24(22,23)19-11-9-16-8-7-15-4-3-5-17(19)20(15)16/h3-6,9-12,21H,7-8H2,1-2H3
InChIKeyICEVHJHGONXDTE-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.36
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide

N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide (PubChem CID 100820567) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide
PubChem CID100820567
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c(C)c1
InChIInChI=1S/C20H19NO2S/c1-13-6-10-18(14(2)12-13)21-24(22,23)19-11-9-16-8-7-15-4-3-5-17(19)20(15)16/h3-6,9-12,21H,7-8H2,1-2H3
InChIKeyICEVHJHGONXDTE-UHFFFAOYSA-N
XLogP4.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide
CID 100820532
N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzenesulfonamide
CID 18125849
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid
CID 100820577
1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide
CID 25043994
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2,4-dimethylbenzamide
CID 1287902
N-(4-hydroxy-2-methylphenyl)-2-methyl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide
CID 75366560
N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 134025383
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
CID 3863600

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide (CID 100820567) is N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide?
The InChIKey is ICEVHJHGONXDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-13-6-10-18(14(2)12-13)21-24(22,23)19-11-9-16-8-7-15-4-3-5-17(19)20(15)16/h3-6,9-12,21H,7-8H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide?
N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide has a molecular weight of 337.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide is sourced from PubChem (CID 100820567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).