2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid

C23H22N2O5S — CID 68686933

IUPAC2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CCc3ccccc3C(=O)O)c2)cc1
InChIInChI=1S/C23H22N2O5S/c1-16(26)24-19-11-13-21(14-12-19)31(29,30)25-20-7-4-5-17(15-20)9-10-18-6-2-3-8-22(18)23(27)28/h2-8,11-15,25H,9-10H2,1H3,(H,24,26)(H,27,28)
InChIKeyIPTZENZAWQEZCZ-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.93
Rot. Bonds8

About 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid

2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid (PubChem CID 68686933) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
PubChem CID68686933
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CCc3ccccc3C(=O)O)c2)cc1
InChIInChI=1S/C23H22N2O5S/c1-16(26)24-19-11-13-21(14-12-19)31(29,30)25-20-7-4-5-17(15-20)9-10-18-6-2-3-8-22(18)23(27)28/h2-8,11-15,25H,9-10H2,1H3,(H,24,26)(H,27,28)
InChIKeyIPTZENZAWQEZCZ-UHFFFAOYSA-N
XLogP3.93
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688369
3-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688702
2-[2-[3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68691582
2-[2-[3-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid;2-[2-[3-[(3-methoxyphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 158194945
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
2-[2-[3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 68691726
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
2-[2-[4-[(4-acetylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid;2-[2-[4-(ethylsulfonylamino)phenyl]ethyl]benzoic acid;2-[2-[4-[(4-phenylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 160944784
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-[4-[(2,6-diethylphenyl)sulfamoyl]phenyl]acetamide
CID 2725688
2-[2-[4-[(4-propylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid;2-[2-[4-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 158704786

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid?
The IUPAC name of 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid (CID 68686933) is 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CCc3ccccc3C(=O)O)c2)cc1.
What is the InChIKey of 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid?
The InChIKey is IPTZENZAWQEZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-16(26)24-19-11-13-21(14-12-19)31(29,30)25-20-7-4-5-17(15-20)9-10-18-6-2-3-8-22(18)23(27)28/h2-8,11-15,25H,9-10H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid?
2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid has a molecular weight of 438.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid is sourced from PubChem (CID 68686933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).