3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid

C24H25NO4S — CID 68688402

IUPAC3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2CCCc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C24H25NO4S/c1-2-18-13-15-22(16-14-18)30(28,29)25-23-12-4-3-9-20(23)10-5-7-19-8-6-11-21(17-19)24(26)27/h3-4,6,8-9,11-17,25H,2,5,7,10H2,1H3,(H,26,27)
InChIKeyOWKZUACWYONNPS-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.92
Rot. Bonds9

About 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid

3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid (PubChem CID 68688402) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid.

Molecular Properties

Compound Name3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid
PubChem CID68688402
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2CCCc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C24H25NO4S/c1-2-18-13-15-22(16-14-18)30(28,29)25-23-12-4-3-9-20(23)10-5-7-19-8-6-11-21(17-19)24(26)27/h3-4,6,8-9,11-17,25H,2,5,7,10H2,1H3,(H,26,27)
InChIKeyOWKZUACWYONNPS-UHFFFAOYSA-N
XLogP4.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid
CID 68691946
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
3-[2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid;3-[2-[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 157114647
3-[2-[2-(hexadecylsulfonylamino)phenyl]ethyl]benzoic acid
CID 68691257
3-[2-[2-[[4-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]ethyl]benzoic acid;3-[2-[2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 161125110
4-[2-[2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688852
3-[2-[2-[(2,6-difluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid;3-[2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 158528595
4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid
CID 50766989
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183
3-[3-[2-(benzylsulfonylamino)phenyl]propyl]benzoic acid;3-[3-[2-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]propyl]benzoic acid;3-[3-[2-[(2,4-dimethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid
CID 159074823
3-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688702

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid?
The IUPAC name of 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid (CID 68688402) is 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid.
What is the SMILES notation for 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid?
The canonical SMILES for 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid is CCc1ccc(S(=O)(=O)Nc2ccccc2CCCc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid?
The InChIKey is OWKZUACWYONNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-2-18-13-15-22(16-14-18)30(28,29)25-23-12-4-3-9-20(23)10-5-7-19-8-6-11-21(17-19)24(26)27/h3-4,6,8-9,11-17,25H,2,5,7,10H2,1H3,(H,26,27).
What are the key properties of 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid?
3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid has a molecular weight of 423.53 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid is sourced from PubChem (CID 68688402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).