N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide

C19H17NO3S — CID 3133074

IUPACN-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CO1)c1cccc2ccccc12
InChIInChI=1S/C19H17NO3S/c21-24(22,17-9-2-1-3-10-17)20(13-16-14-23-16)19-12-6-8-15-7-4-5-11-18(15)19/h1-12,16H,13-14H2
InChIKeyVAUAWMARBANNGG-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.43
Rot. Bonds5

About N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide

N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide (PubChem CID 3133074) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide
PubChem CID3133074
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CO1)c1cccc2ccccc12
InChIInChI=1S/C19H17NO3S/c21-24(22,17-9-2-1-3-10-17)20(13-16-14-23-16)19-12-6-8-15-7-4-5-11-18(15)19/h1-12,16H,13-14H2
InChIKeyVAUAWMARBANNGG-UHFFFAOYSA-N
XLogP3.43
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide (CID 3133074) is N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CC1CO1)c1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The InChIKey is VAUAWMARBANNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-24(22,17-9-2-1-3-10-17)20(13-16-14-23-16)19-12-6-8-15-7-4-5-11-18(15)19/h1-12,16H,13-14H2.
What are the key properties of N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(oxiran-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3133074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).