4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid

C17H19NO5S — CID 126480887

IUPAC4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid
SMILESCC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO5S/c1-12(2)11-18(24(22,23)14-6-4-3-5-7-14)13-8-9-15(17(20)21)16(19)10-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyRHLZHCSMFAJSQM-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.94
Rot. Bonds6

About 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid

4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid (PubChem CID 126480887) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid
PubChem CID126480887
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid
SMILESCC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO5S/c1-12(2)11-18(24(22,23)14-6-4-3-5-7-14)13-8-9-15(17(20)21)16(19)10-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyRHLZHCSMFAJSQM-UHFFFAOYSA-N
XLogP2.94
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid (CID 126480887) is 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid is CC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid?
The InChIKey is RHLZHCSMFAJSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12(2)11-18(24(22,23)14-6-4-3-5-7-14)13-8-9-15(17(20)21)16(19)10-13/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid?
4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid has a molecular weight of 349.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 126480887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).