2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide

C16H19NO3S — CID 967887

IUPAC2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-13-8-9-15(20-2)16(12-13)21(18,19)17-11-10-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyOQWZMVVKGHBFKU-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.52
Rot. Bonds6

About 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide

2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 967887) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID967887
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-13-8-9-15(20-2)16(12-13)21(18,19)17-11-10-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyOQWZMVVKGHBFKU-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 967887) is 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is OQWZMVVKGHBFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-8-9-15(20-2)16(12-13)21(18,19)17-11-10-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 967887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).