5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid

C11H15F3N2O5S — CID 154876227

IUPAC5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid
SMILESNS(=O)(=O)c1ccc(CNCC(CCC(=O)O)C(F)(F)F)o1
InChIInChI=1S/C11H15F3N2O5S/c12-11(13,14)7(1-3-9(17)18)5-16-6-8-2-4-10(21-8)22(15,19)20/h2,4,7,16H,1,3,5-6H2,(H,17,18)(H2,15,19,20)
InChIKeyFFRDPWOYSUDFFU-UHFFFAOYSA-N
MW344.31 g/mol
LogP1.06
Rot. Bonds8

About 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid

5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid (PubChem CID 154876227) has the molecular formula C11H15F3N2O5S and a molecular weight of 344.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid
PubChem CID154876227
Molecular FormulaC11H15F3N2O5S
Molecular Weight344.31 g/mol
Exact Mass344.07
IUPAC Name5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid
SMILESNS(=O)(=O)c1ccc(CNCC(CCC(=O)O)C(F)(F)F)o1
InChIInChI=1S/C11H15F3N2O5S/c12-11(13,14)7(1-3-9(17)18)5-16-6-8-2-4-10(21-8)22(15,19)20/h2,4,7,16H,1,3,5-6H2,(H,17,18)(H2,15,19,20)
InChIKeyFFRDPWOYSUDFFU-UHFFFAOYSA-N
XLogP1.06
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic 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

5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
5-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]furan-2-sulfonamide
CID 107865049
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
CID 106245527
5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-2-sulfonamide
CID 114158691
N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 106177091
(4R)-4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-5,5,5-trifluoropentanoic acid
CID 51567451
5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide
CID 106100249
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid?
The IUPAC name of 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid (CID 154876227) is 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid.
What is the SMILES notation for 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid?
The canonical SMILES for 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid is NS(=O)(=O)c1ccc(CNCC(CCC(=O)O)C(F)(F)F)o1.
What is the InChIKey of 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid?
The InChIKey is FFRDPWOYSUDFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O5S/c12-11(13,14)7(1-3-9(17)18)5-16-6-8-2-4-10(21-8)22(15,19)20/h2,4,7,16H,1,3,5-6H2,(H,17,18)(H2,15,19,20).
What are the key properties of 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid?
5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid has a molecular weight of 344.31 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid is sourced from PubChem (CID 154876227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).