4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid

C17H18FNO5S — CID 126480831

IUPAC4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid
SMILESCC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO5S/c1-11(2)10-19(13-5-8-15(17(21)22)16(20)9-13)25(23,24)14-6-3-12(18)4-7-14/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyYWOQFIBLEMEUJW-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.08
Rot. Bonds6

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

4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid (PubChem CID 126480831) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid
PubChem CID126480831
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Name4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid
SMILESCC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO5S/c1-11(2)10-19(13-5-8-15(17(21)22)16(20)9-13)25(23,24)14-6-3-12(18)4-7-14/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyYWOQFIBLEMEUJW-UHFFFAOYSA-N
XLogP3.08
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid (CID 126480831) is 4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid is CC(C)CN(c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid?
The InChIKey is YWOQFIBLEMEUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-11(2)10-19(13-5-8-15(17(21)22)16(20)9-13)25(23,24)14-6-3-12(18)4-7-14/h3-9,11,20H,10H2,1-2H3,(H,21,22).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid?
4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid has a molecular weight of 367.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 126480831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).