2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid

C8H9ClF3N3O4S — CID 106314161

IUPAC2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3O4S/c1-7(6(16)17,8(10,11)12)14-20(18,19)5-4(9)3-13-15(5)2/h3,14H,1-2H3,(H,16,17)
InChIKeyQSSVCSVQMMAPSS-UHFFFAOYSA-N
MW335.69 g/mol
LogP0.76
Rot. Bonds4

About 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 106314161) has the molecular formula C8H9ClF3N3O4S and a molecular weight of 335.69 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID106314161
Molecular FormulaC8H9ClF3N3O4S
Molecular Weight335.69 g/mol
Exact Mass335.00
IUPAC Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H9ClF3N3O4S/c1-7(6(16)17,8(10,11)12)14-20(18,19)5-4(9)3-13-15(5)2/h3,14H,1-2H3,(H,16,17)
InChIKeyQSSVCSVQMMAPSS-UHFFFAOYSA-N
XLogP0.76
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.69
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoic acid
CID 79793101
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106139184
3,3,3-Trifluoro-2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 113443912
3-[Methyl-[2-methyl-4-(trifluoromethyl)pyrazol-3-yl]sulfonylamino]propanoic acid
CID 136556839
2-[Methyl-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]sulfonylamino]propanoic acid
CID 138031873
2-[(1,4-Dimethylpyrazol-5-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
CID 145887612
2-Methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709578
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 106139007
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 106139008
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]pentanedioic acid
CID 106139010
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]acetic acid
CID 106139011
3-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid
CID 106139012

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 106314161) is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid is Cn1ncc(Cl)c1S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is QSSVCSVQMMAPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O4S/c1-7(6(16)17,8(10,11)12)14-20(18,19)5-4(9)3-13-15(5)2/h3,14H,1-2H3,(H,16,17).
What are the key properties of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 335.69 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 106314161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).