N-(3-naphthalen-2-ylpropyl)ethenesulfonamide

C15H17NO2S — CID 148848801

IUPACN-(3-naphthalen-2-ylpropyl)ethenesulfonamide
SMILESC=CS(=O)(=O)NCCCc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2S/c1-2-19(17,18)16-11-5-6-13-9-10-14-7-3-4-8-15(14)12-13/h2-4,7-10,12,16H,1,5-6,11H2
InChIKeyOWZXUYYZQJKXGW-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.84
Rot. Bonds6

About N-(3-naphthalen-2-ylpropyl)ethenesulfonamide

N-(3-naphthalen-2-ylpropyl)ethenesulfonamide (PubChem CID 148848801) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylpropyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylpropyl)ethenesulfonamide
PubChem CID148848801
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(3-naphthalen-2-ylpropyl)ethenesulfonamide
SMILESC=CS(=O)(=O)NCCCc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2S/c1-2-19(17,18)16-11-5-6-13-9-10-14-7-3-4-8-15(14)12-13/h2-4,7-10,12,16H,1,5-6,11H2
InChIKeyOWZXUYYZQJKXGW-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(3-naphthalen-2-ylpropyl)ethenesulfonamide?
The IUPAC name of N-(3-naphthalen-2-ylpropyl)ethenesulfonamide (CID 148848801) is N-(3-naphthalen-2-ylpropyl)ethenesulfonamide.
What is the SMILES notation for N-(3-naphthalen-2-ylpropyl)ethenesulfonamide?
The canonical SMILES for N-(3-naphthalen-2-ylpropyl)ethenesulfonamide is C=CS(=O)(=O)NCCCc1ccc2ccccc2c1.
What is the InChIKey of N-(3-naphthalen-2-ylpropyl)ethenesulfonamide?
The InChIKey is OWZXUYYZQJKXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-19(17,18)16-11-5-6-13-9-10-14-7-3-4-8-15(14)12-13/h2-4,7-10,12,16H,1,5-6,11H2.
What are the key properties of N-(3-naphthalen-2-ylpropyl)ethenesulfonamide?
N-(3-naphthalen-2-ylpropyl)ethenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylpropyl)ethenesulfonamide is sourced from PubChem (CID 148848801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).