1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid

C23H17NO6S — CID 126480875

IUPAC1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
InChIInChI=1S/C23H17NO6S/c25-22-19-9-5-4-8-18(19)21(14-20(22)23(26)27)31(28,29)24-15-10-12-17(13-11-15)30-16-6-2-1-3-7-16/h1-14,24-25H,(H,26,27)
InChIKeyKQZIXPIGEBHCOH-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.84
Rot. Bonds6

About 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid

1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid (PubChem CID 126480875) has the molecular formula C23H17NO6S and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
PubChem CID126480875
Molecular FormulaC23H17NO6S
Molecular Weight435.46 g/mol
Exact Mass435.08
IUPAC Name1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
InChIInChI=1S/C23H17NO6S/c25-22-19-9-5-4-8-18(19)21(14-20(22)23(26)27)31(28,29)24-15-10-12-17(13-11-15)30-16-6-2-1-3-7-16/h1-14,24-25H,(H,26,27)
InChIKeyKQZIXPIGEBHCOH-UHFFFAOYSA-N
XLogP4.84
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid (CID 126480875) is 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2c1O.
What is the InChIKey of 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid?
The InChIKey is KQZIXPIGEBHCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO6S/c25-22-19-9-5-4-8-18(19)21(14-20(22)23(26)27)31(28,29)24-15-10-12-17(13-11-15)30-16-6-2-1-3-7-16/h1-14,24-25H,(H,26,27).
What are the key properties of 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid?
1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid has a molecular weight of 435.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[(4-phenoxyphenyl)sulfamoyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 126480875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).