2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid

C14H15FN2O4S2 — CID 87499565

IUPAC2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid
SMILESCCC(C(=O)O)c1cnc(NS(=O)(=O)c2cc(F)ccc2C)s1
InChIInChI=1S/C14H15FN2O4S2/c1-3-10(13(18)19)11-7-16-14(22-11)17-23(20,21)12-6-9(15)5-4-8(12)2/h4-7,10H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySDNQABGJIITXCU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.97
Rot. Bonds6

About 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid

2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid (PubChem CID 87499565) has the molecular formula C14H15FN2O4S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid
PubChem CID87499565
Molecular FormulaC14H15FN2O4S2
Molecular Weight358.42 g/mol
Exact Mass358.05
IUPAC Name2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid
SMILESCCC(C(=O)O)c1cnc(NS(=O)(=O)c2cc(F)ccc2C)s1
InChIInChI=1S/C14H15FN2O4S2/c1-3-10(13(18)19)11-7-16-14(22-11)17-23(20,21)12-6-9(15)5-4-8(12)2/h4-7,10H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySDNQABGJIITXCU-UHFFFAOYSA-N
XLogP2.97
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid?
The IUPAC name of 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid (CID 87499565) is 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid.
What is the SMILES notation for 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid?
The canonical SMILES for 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid is CCC(C(=O)O)c1cnc(NS(=O)(=O)c2cc(F)ccc2C)s1.
What is the InChIKey of 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid?
The InChIKey is SDNQABGJIITXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S2/c1-3-10(13(18)19)11-7-16-14(22-11)17-23(20,21)12-6-9(15)5-4-8(12)2/h4-7,10H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid?
2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid has a molecular weight of 358.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]butanoic acid is sourced from PubChem (CID 87499565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).