N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide

C16H17NO4S — CID 2771918

IUPACN-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC1CO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-20-16-10-6-5-9-15(16)17(11-13-12-21-13)22(18,19)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyLDSMNZLMXLWRGA-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.29
Rot. Bonds6

About N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide

N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide (PubChem CID 2771918) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
PubChem CID2771918
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC1CO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-20-16-10-6-5-9-15(16)17(11-13-12-21-13)22(18,19)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyLDSMNZLMXLWRGA-UHFFFAOYSA-N
XLogP2.29
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide (CID 2771918) is N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide is COc1ccccc1N(CC1CO1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The InChIKey is LDSMNZLMXLWRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-16-10-6-5-9-15(16)17(11-13-12-21-13)22(18,19)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide?
N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2771918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).