2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C12H11FN2O4S2 — CID 43344111

IUPAC2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H11FN2O4S2/c1-7-4-8(13)2-3-10(7)21(18,19)15-12-14-9(6-20-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZDQMCUSYCNPIMS-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.02
Rot. Bonds5

About 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 43344111) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID43344111
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Name2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H11FN2O4S2/c1-7-4-8(13)2-3-10(7)21(18,19)15-12-14-9(6-20-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZDQMCUSYCNPIMS-UHFFFAOYSA-N
XLogP2.02
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87756750
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546952
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 103099582
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100
2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545781
2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545579
2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576016
ethyl 2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10202501

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 43344111) is 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is Cc1cc(F)ccc1S(=O)(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZDQMCUSYCNPIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c1-7-4-8(13)2-3-10(7)21(18,19)15-12-14-9(6-20-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 330.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43344111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).