N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide

C21H21NO2S — CID 1290765

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-13-11-14(2)21(15(3)12-13)25(23,24)22-19-10-9-17-8-7-16-5-4-6-18(19)20(16)17/h4-6,9-12,22H,7-8H2,1-3H3
InChIKeyIEWFLISZFADZRD-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.66
Rot. Bonds3

About N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide

N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 1290765) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID1290765
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-13-11-14(2)21(15(3)12-13)25(23,24)22-19-10-9-17-8-7-16-5-4-6-18(19)20(16)17/h4-6,9-12,22H,7-8H2,1-3H3
InChIKeyIEWFLISZFADZRD-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.66
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)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide (CID 1290765) is N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is IEWFLISZFADZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-13-11-14(2)21(15(3)12-13)25(23,24)22-19-10-9-17-8-7-16-5-4-6-18(19)20(16)17/h4-6,9-12,22H,7-8H2,1-3H3.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 4.66, 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)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 1290765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).