4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide

C16H19NO3S2 — CID 30396497

IUPAC4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2SCC)cc1
InChIInChI=1S/C16H19NO3S2/c1-3-20-13-9-11-14(12-10-13)22(18,19)17-15-7-5-6-8-16(15)21-4-2/h5-12,17H,3-4H2,1-2H3
InChIKeyKJOUXUIJOKFUPH-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.00
Rot. Bonds7

About 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide

4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide (PubChem CID 30396497) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
PubChem CID30396497
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2SCC)cc1
InChIInChI=1S/C16H19NO3S2/c1-3-20-13-9-11-14(12-10-13)22(18,19)17-15-7-5-6-8-16(15)21-4-2/h5-12,17H,3-4H2,1-2H3
InChIKeyKJOUXUIJOKFUPH-UHFFFAOYSA-N
XLogP4.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-[2-(4-ethoxyphenoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 7938368
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-(2-butylphenyl)-4-ethoxybenzenesulfonamide
CID 22774366
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
CID 107649990
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
2-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 134141598
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
4-[(2-ethylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061735

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide (CID 30396497) is 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2SCC)cc1.
What is the InChIKey of 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide?
The InChIKey is KJOUXUIJOKFUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-3-20-13-9-11-14(12-10-13)22(18,19)17-15-7-5-6-8-16(15)21-4-2/h5-12,17H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide?
4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide has a molecular weight of 337.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 30396497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).