N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide

C20H19NO2S — CID 884596

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1
InChIInChI=1S/C20H19NO2S/c1-13-6-11-19(14(2)12-13)24(22,23)21-18-10-9-16-8-7-15-4-3-5-17(18)20(15)16/h3-6,9-12,21H,7-8H2,1-2H3
InChIKeyDLUYFXXMLZVOID-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.36
Rot. Bonds3

About N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide

N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 884596) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID884596
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1
InChIInChI=1S/C20H19NO2S/c1-13-6-11-19(14(2)12-13)24(22,23)21-18-10-9-16-8-7-15-4-3-5-17(18)20(15)16/h3-6,9-12,21H,7-8H2,1-2H3
InChIKeyDLUYFXXMLZVOID-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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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide (CID 884596) is N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is DLUYFXXMLZVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-13-6-11-19(14(2)12-13)24(22,23)21-18-10-9-16-8-7-15-4-3-5-17(18)20(15)16/h3-6,9-12,21H,7-8H2,1-2H3.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide 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-(1,2-dihydroacenaphthylen-5-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 884596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).