2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid

C21H19NO5S — CID 72695676

IUPAC2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(CCc3ccccc3)cc2)ccc1O
InChIInChI=1S/C21H19NO5S/c23-20-13-12-18(14-19(20)21(24)25)28(26,27)22-17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-14,22-23H,6-7H2,(H,24,25)
InChIKeyGIXMBQJKUBQPFB-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.68
Rot. Bonds7

About 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid

2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid (PubChem CID 72695676) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
PubChem CID72695676
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC Name2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(CCc3ccccc3)cc2)ccc1O
InChIInChI=1S/C21H19NO5S/c23-20-13-12-18(14-19(20)21(24)25)28(26,27)22-17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-14,22-23H,6-7H2,(H,24,25)
InChIKeyGIXMBQJKUBQPFB-UHFFFAOYSA-N
XLogP3.68
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406207
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid
CID 166033666
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 118202362
2-(methylamino)-5-(phenylsulfamoyl)benzoic acid
CID 99988698

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid (CID 72695676) is 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(CCc3ccccc3)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is GIXMBQJKUBQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c23-20-13-12-18(14-19(20)21(24)25)28(26,27)22-17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-14,22-23H,6-7H2,(H,24,25).
What are the key properties of 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid?
2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 397.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 72695676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).