4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid

C23H17NO5S — CID 58834889

IUPAC4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C23H17NO5S/c25-23(26)17-8-14-20(15-9-17)30(27,28)24-18-10-12-19(13-11-18)29-22-7-3-5-16-4-1-2-6-21(16)22/h1-15,24H,(H,25,26)
InChIKeyKTMSEOFJIWEUFQ-UHFFFAOYSA-N
MW419.46 g/mol
LogP5.13
Rot. Bonds6

About 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid

4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid (PubChem CID 58834889) has the molecular formula C23H17NO5S and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid
PubChem CID58834889
Molecular FormulaC23H17NO5S
Molecular Weight419.46 g/mol
Exact Mass419.08
IUPAC Name4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C23H17NO5S/c25-23(26)17-8-14-20(15-9-17)30(27,28)24-18-10-12-19(13-11-18)29-22-7-3-5-16-4-1-2-6-21(16)22/h1-15,24H,(H,25,26)
InChIKeyKTMSEOFJIWEUFQ-UHFFFAOYSA-N
XLogP5.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 58834881
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707
2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
CID 1216754
4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
(2R)-2-naphthalen-1-yloxy-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 92681695
4-naphthalen-1-yloxy-N-(propylsulfamoyl)aniline
CID 59962132
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217

Frequently Asked Questions

What is the IUPAC name of 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid (CID 58834889) is 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is KTMSEOFJIWEUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5S/c25-23(26)17-8-14-20(15-9-17)30(27,28)24-18-10-12-19(13-11-18)29-22-7-3-5-16-4-1-2-6-21(16)22/h1-15,24H,(H,25,26).
What are the key properties of 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid?
4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 419.46 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 58834889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).