2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide

C20H21NO3S — CID 155542329

IUPAC2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C20H21NO3S/c1-15-7-10-20(16(2)13-15)25(22,23)21-11-12-24-19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,21H,11-12H2,1-2H3
InChIKeyVVFIHKUSVGNXSF-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.81
Rot. Bonds6

About 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide

2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide (PubChem CID 155542329) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
PubChem CID155542329
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C20H21NO3S/c1-15-7-10-20(16(2)13-15)25(22,23)21-11-12-24-19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,21H,11-12H2,1-2H3
InChIKeyVVFIHKUSVGNXSF-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide (CID 155542329) is 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
The InChIKey is VVFIHKUSVGNXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-15-7-10-20(16(2)13-15)25(22,23)21-11-12-24-19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-14,21H,11-12H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 155542329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).