2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid

C9H7F3N2O4S2 — CID 106265724

IUPAC2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C9H7F3N2O4S2/c10-9(11,12)5-14(4-7(15)16)20(17,18)8-2-1-6(3-13)19-8/h1-2H,4-5H2,(H,15,16)
InChIKeyOGVJDQNTOUCQIT-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.26
Rot. Bonds5

About 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 106265724) has the molecular formula C9H7F3N2O4S2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID106265724
Molecular FormulaC9H7F3N2O4S2
Molecular Weight328.29 g/mol
Exact Mass327.98
IUPAC Name2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C9H7F3N2O4S2/c10-9(11,12)5-14(4-7(15)16)20(17,18)8-2-1-6(3-13)19-8/h1-2H,4-5H2,(H,15,16)
InChIKeyOGVJDQNTOUCQIT-UHFFFAOYSA-N
XLogP1.26
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic 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

2-[Cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 136550994
2-[(5-Methylthiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257905
2-[(5-Ethylthiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258727
2-[(2,5-Dimethylthiophen-3-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258976
2-[(5-Cyanothiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106265744
5-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106269353
5-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106269356
2-[[5-(Trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 121778586
2-[Methyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 121778662
2-[Propan-2-yl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 121778668
2-[Propyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 121778672
2-[Methyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid
CID 121778692

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 106265724) is 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid is N#Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(F)(F)F)s1.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OGVJDQNTOUCQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O4S2/c10-9(11,12)5-14(4-7(15)16)20(17,18)8-2-1-6(3-13)19-8/h1-2H,4-5H2,(H,15,16).
What are the key properties of 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 328.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 106265724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).