N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide

C19H17NO2S — CID 155527561

IUPACN-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO2S/c1-2-23(21,22)20-19-11-8-15(9-12-19)13-16-7-10-17-5-3-4-6-18(17)14-16/h2-12,14,20H,1,13H2
InChIKeyIUZGUIPYVGPQFT-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.32
Rot. Bonds5

About N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide

N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide (PubChem CID 155527561) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide
PubChem CID155527561
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H17NO2S/c1-2-23(21,22)20-19-11-8-15(9-12-19)13-16-7-10-17-5-3-4-6-18(17)14-16/h2-12,14,20H,1,13H2
InChIKeyIUZGUIPYVGPQFT-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide?
The IUPAC name of N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide (CID 155527561) is N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide.
What is the SMILES notation for N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide?
The canonical SMILES for N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide?
The InChIKey is IUZGUIPYVGPQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-2-23(21,22)20-19-11-8-15(9-12-19)13-16-7-10-17-5-3-4-6-18(17)14-16/h2-12,14,20H,1,13H2.
What are the key properties of N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide?
N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(naphthalen-2-ylmethyl)phenyl]ethenesulfonamide is sourced from PubChem (CID 155527561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).