N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide

C17H21NO3S — CID 3265391

IUPACN-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C17H21NO3S/c1-5-21-17-7-6-16(11-14(17)4)22(19,20)18-15-9-12(2)8-13(3)10-15/h6-11,18H,5H2,1-4H3
InChIKeyUNXKZRSAEPFMLO-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.81
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide

N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 3265391) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID3265391
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C
InChIInChI=1S/C17H21NO3S/c1-5-21-17-7-6-16(11-14(17)4)22(19,20)18-15-9-12(2)8-13(3)10-15/h6-11,18H,5H2,1-4H3
InChIKeyUNXKZRSAEPFMLO-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide
CID 115733544
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
CID 154781020
2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid
CID 154746500

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide (CID 3265391) is N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is UNXKZRSAEPFMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-5-21-17-7-6-16(11-14(17)4)22(19,20)18-15-9-12(2)8-13(3)10-15/h6-11,18H,5H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide?
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 3265391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).