5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid

C17H19NO5S — CID 2133735

IUPAC5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C17H19NO5S/c1-2-3-4-12-5-7-13(8-6-12)18-24(22,23)14-9-10-16(19)15(11-14)17(20)21/h5-11,18-19H,2-4H2,1H3,(H,20,21)
InChIKeyAJISVEXLPBAKLT-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.23
Rot. Bonds7

About 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid

5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 2133735) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID2133735
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C17H19NO5S/c1-2-3-4-12-5-7-13(8-6-12)18-24(22,23)14-9-10-16(19)15(11-14)17(20)21/h5-11,18-19H,2-4H2,1H3,(H,20,21)
InChIKeyAJISVEXLPBAKLT-UHFFFAOYSA-N
XLogP3.23
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
CID 72695676
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780
5-bromo-2-[(4-butylphenyl)sulfamoyl]benzoic acid
CID 75479260
5-[1-[4-[2-(4-butylphenyl)ethynyl]phenyl]heptan-2-ylsulfamoyl]-2-hydroxybenzoic acid
CID 69463957
N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 53257718

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid (CID 2133735) is 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid is CCCCc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is AJISVEXLPBAKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-2-3-4-12-5-7-13(8-6-12)18-24(22,23)14-9-10-16(19)15(11-14)17(20)21/h5-11,18-19H,2-4H2,1H3,(H,20,21).
What are the key properties of 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid?
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 349.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 2133735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).