4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid

C18H21NO5S — CID 11674969

IUPAC4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1
InChIInChI=1S/C18H21NO5S/c20-13-3-1-2-12-19-25(23,24)17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(21)22/h4-11,19-20H,1-3,12-13H2,(H,21,22)
InChIKeyNWRILIOUYAUURT-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.49
Rot. Bonds9

About 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid

4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid (PubChem CID 11674969) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid
PubChem CID11674969
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1
InChIInChI=1S/C18H21NO5S/c20-13-3-1-2-12-19-25(23,24)17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(21)22/h4-11,19-20H,1-3,12-13H2,(H,21,22)
InChIKeyNWRILIOUYAUURT-UHFFFAOYSA-N
XLogP2.49
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid?
The IUPAC name of 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid (CID 11674969) is 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid?
The canonical SMILES for 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1.
What is the InChIKey of 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid?
The InChIKey is NWRILIOUYAUURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c20-13-3-1-2-12-19-25(23,24)17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(21)22/h4-11,19-20H,1-3,12-13H2,(H,21,22).
What are the key properties of 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid?
4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid has a molecular weight of 363.44 g/mol, XLogP of 2.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-hydroxypentylsulfamoyl)phenyl]benzoic acid is sourced from PubChem (CID 11674969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).