4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

C16H19NO3S2 — CID 2991516

IUPAC4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C
InChIInChI=1S/C16H19NO3S2/c1-4-20-16-9-8-15(10-12(16)2)22(18,19)17-13-6-5-7-14(11-13)21-3/h5-11,17H,4H2,1-3H3
InChIKeyLXPUDUHHBLJWGE-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.92
Rot. Bonds6

About 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 2991516) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
PubChem CID2991516
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C
InChIInChI=1S/C16H19NO3S2/c1-4-20-16-9-8-15(10-12(16)2)22(18,19)17-13-6-5-7-14(11-13)21-3/h5-11,17H,4H2,1-3H3
InChIKeyLXPUDUHHBLJWGE-UHFFFAOYSA-N
XLogP3.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 39837582
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 91758551
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
CID 2991974
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (CID 2991516) is 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is LXPUDUHHBLJWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-4-20-16-9-8-15(10-12(16)2)22(18,19)17-13-6-5-7-14(11-13)21-3/h5-11,17H,4H2,1-3H3.
What are the key properties of 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 337.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 2991516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).