5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide

C16H19NO3S — CID 847860

IUPAC5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1
InChIInChI=1S/C16H19NO3S/c1-4-13-9-10-15(20-3)16(11-13)21(18,19)17-14-8-6-5-7-12(14)2/h5-11,17H,4H2,1-3H3
InChIKeyXBKGCGGFBWQOLS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.37
Rot. Bonds5

About 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide

5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 847860) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide
PubChem CID847860
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1
InChIInChI=1S/C16H19NO3S/c1-4-13-9-10-15(20-3)16(11-13)21(18,19)17-14-8-6-5-7-12(14)2/h5-11,17H,4H2,1-3H3
InChIKeyXBKGCGGFBWQOLS-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide (CID 847860) is 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is XBKGCGGFBWQOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-13-9-10-15(20-3)16(11-13)21(18,19)17-14-8-6-5-7-12(14)2/h5-11,17H,4H2,1-3H3.
What are the key properties of 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide?
5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 847860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).