N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide

C19H17NO3S — CID 3133058

IUPACN-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CC1CO1)c1ccccc1
InChIInChI=1S/C19H17NO3S/c21-24(22,19-11-10-15-6-4-5-7-16(15)12-19)20(13-18-14-23-18)17-8-2-1-3-9-17/h1-12,18H,13-14H2
InChIKeyYXMGARRZHSKZJO-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.43
Rot. Bonds5

About N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide

N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide (PubChem CID 3133058) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide
PubChem CID3133058
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide
SMILESO=S(=O)(c1ccc2ccccc2c1)N(CC1CO1)c1ccccc1
InChIInChI=1S/C19H17NO3S/c21-24(22,19-11-10-15-6-4-5-7-16(15)12-19)20(13-18-14-23-18)17-8-2-1-3-9-17/h1-12,18H,13-14H2
InChIKeyYXMGARRZHSKZJO-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-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide?
The IUPAC name of N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide (CID 3133058) is N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide is O=S(=O)(c1ccc2ccccc2c1)N(CC1CO1)c1ccccc1.
What is the InChIKey of N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide?
The InChIKey is YXMGARRZHSKZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-24(22,19-11-10-15-6-4-5-7-16(15)12-19)20(13-18-14-23-18)17-8-2-1-3-9-17/h1-12,18H,13-14H2.
What are the key properties of N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide?
N-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide 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-(oxiran-2-ylmethyl)-N-phenylnaphthalene-2-sulfonamide is sourced from PubChem (CID 3133058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).