N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide

C17H19NO4S — CID 3133076

IUPACN-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC1CO1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(19,20)18(11-14-12-22-14)16-5-3-4-6-17(16)21-2/h3-10,14H,11-12H2,1-2H3
InChIKeyRISDRHYQFDAKLF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.60
Rot. Bonds6

About N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide

N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide (PubChem CID 3133076) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
PubChem CID3133076
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC1CO1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(19,20)18(11-14-12-22-14)16-5-3-4-6-17(16)21-2/h3-10,14H,11-12H2,1-2H3
InChIKeyRISDRHYQFDAKLF-UHFFFAOYSA-N
XLogP2.60
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.60
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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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
CID 2771918
N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4880111
1-(2-Ethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 753422
N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-4-methyl-benzenesulfonamide
CID 11327137
Benzenesulfonamide, 4-methoxy-N-[2-(methoxymethyl)phenyl]-3-(4-methyl-1-piperazinyl)-
CID 57334968
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 648178
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N,4-dimethylbenzenesulfonamide
CID 1001608
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 1160887
N-(2-ethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1337138
(E)-1-(2-methoxyphenyl)-4-(styrylsulfonyl)piperazine
CID 1417541
N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2916301

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide (CID 3133076) is N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide is COc1ccccc1N(CC1CO1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
The InChIKey is RISDRHYQFDAKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(19,20)18(11-14-12-22-14)16-5-3-4-6-17(16)21-2/h3-10,14H,11-12H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide?
N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3133076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).