3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid

C17H16FNO5S — CID 56875328

IUPAC3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)c1F
InChIInChI=1S/C17H16FNO5S/c1-24-15-4-2-3-14(16(15)18)10-7-11(17(20)21)9-13(8-10)25(22,23)19-12-5-6-12/h2-4,7-9,12,19H,5-6H2,1H3,(H,20,21)
InChIKeyNXWIPQZWNIXMCK-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.64
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid

3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid (PubChem CID 56875328) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid
PubChem CID56875328
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid
SMILESCOc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)c1F
InChIInChI=1S/C17H16FNO5S/c1-24-15-4-2-3-14(16(15)18)10-7-11(17(20)21)9-13(8-10)25(22,23)19-12-5-6-12/h2-4,7-9,12,19H,5-6H2,1H3,(H,20,21)
InChIKeyNXWIPQZWNIXMCK-UHFFFAOYSA-N
XLogP2.64
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid?
The IUPAC name of 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid (CID 56875328) is 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid is COc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)c1F.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid?
The InChIKey is NXWIPQZWNIXMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-24-15-4-2-3-14(16(15)18)10-7-11(17(20)21)9-13(8-10)25(22,23)19-12-5-6-12/h2-4,7-9,12,19H,5-6H2,1H3,(H,20,21).
What are the key properties of 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid?
3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid has a molecular weight of 365.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-5-(2-fluoro-3-methoxyphenyl)benzoic acid is sourced from PubChem (CID 56875328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).