5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid

C16H16FNO4S — CID 51109635

IUPAC5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C16H16FNO4S/c1-2-3-11-4-7-13(8-5-11)23(21,22)18-15-9-6-12(17)10-14(15)16(19)20/h4-10,18H,2-3H2,1H3,(H,19,20)
InChIKeyMJYNWRLKTFAOOP-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.28
Rot. Bonds6

About 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid

5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid (PubChem CID 51109635) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid
PubChem CID51109635
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C16H16FNO4S/c1-2-3-11-4-7-13(8-5-11)23(21,22)18-15-9-6-12(17)10-14(15)16(19)20/h4-10,18H,2-3H2,1H3,(H,19,20)
InChIKeyMJYNWRLKTFAOOP-UHFFFAOYSA-N
XLogP3.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid (CID 51109635) is 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid is CCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)cc1.
What is the InChIKey of 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid?
The InChIKey is MJYNWRLKTFAOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-2-3-11-4-7-13(8-5-11)23(21,22)18-15-9-6-12(17)10-14(15)16(19)20/h4-10,18H,2-3H2,1H3,(H,19,20).
What are the key properties of 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid?
5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid has a molecular weight of 337.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 51109635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).