2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid

C26H23NO4S — CID 122622825

IUPAC2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid
SMILESCCCc1ccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(C(=O)O)c2)cc1
InChIInChI=1S/C26H23NO4S/c1-2-5-18-8-10-20(11-9-18)22-13-15-25(24(17-22)26(28)29)27-32(30,31)23-14-12-19-6-3-4-7-21(19)16-23/h3-4,6-17,27H,2,5H2,1H3,(H,28,29)
InChIKeyQNHPRYBITGJNEB-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.96
Rot. Bonds7

About 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid

2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid (PubChem CID 122622825) has the molecular formula C26H23NO4S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid
PubChem CID122622825
Molecular FormulaC26H23NO4S
Molecular Weight445.54 g/mol
Exact Mass445.13
IUPAC Name2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid
SMILESCCCc1ccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(C(=O)O)c2)cc1
InChIInChI=1S/C26H23NO4S/c1-2-5-18-8-10-20(11-9-18)22-13-15-25(24(17-22)26(28)29)27-32(30,31)23-14-12-19-6-3-4-7-21(19)16-23/h3-4,6-17,27H,2,5H2,1H3,(H,28,29)
InChIKeyQNHPRYBITGJNEB-UHFFFAOYSA-N
XLogP5.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[[3-(fluoromethyl)phenoxy]methyl]phenyl]-2-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 122634034
5-(4-phenylpiperazin-1-yl)-2-[(4-propylphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057862
2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
CID 58937102
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
2-[(4-butylphenyl)sulfonylamino]-5-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]benzoic acid
CID 45274237
2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
CID 159273501
5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid
CID 159040266
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 11724797

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid?
The IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid (CID 122622825) is 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid is CCCc1ccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid?
The InChIKey is QNHPRYBITGJNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4S/c1-2-5-18-8-10-20(11-9-18)22-13-15-25(24(17-22)26(28)29)27-32(30,31)23-14-12-19-6-3-4-7-21(19)16-23/h3-4,6-17,27H,2,5H2,1H3,(H,28,29).
What are the key properties of 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid?
2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid has a molecular weight of 445.54 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid is sourced from PubChem (CID 122622825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).