3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide

C17H21NO3S — CID 53288902

IUPAC3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C17H21NO3S/c1-4-15-11-16(9-10-17(15)21-3)22(19,20)18-12-14-7-5-13(2)6-8-14/h5-11,18H,4,12H2,1-3H3
InChIKeyBAKMFRFTGMAJBR-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.04
Rot. Bonds6

About 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide

3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 53288902) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID53288902
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C17H21NO3S/c1-4-15-11-16(9-10-17(15)21-3)22(19,20)18-12-14-7-5-13(2)6-8-14/h5-11,18H,4,12H2,1-3H3
InChIKeyBAKMFRFTGMAJBR-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
CID 5213752
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 8777833
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992289
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 53288902) is 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide is CCc1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1OC.
What is the InChIKey of 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is BAKMFRFTGMAJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-15-11-16(9-10-17(15)21-3)22(19,20)18-12-14-7-5-13(2)6-8-14/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 53288902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).