N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide

C16H21F3N2O4S — CID 57390847

IUPACN-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide
SMILESO=C(CCCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NO
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)13-4-6-14(7-5-13)26(24,25)21-10-8-12(9-11-21)2-1-3-15(22)20-23/h4-7,12,23H,1-3,8-11H2,(H,20,22)
InChIKeyKCOMLHYZTSPXJY-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.78
Rot. Bonds6

About N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide

N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide (PubChem CID 57390847) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide
PubChem CID57390847
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC NameN-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide
SMILESO=C(CCCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NO
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)13-4-6-14(7-5-13)26(24,25)21-10-8-12(9-11-21)2-1-3-15(22)20-23/h4-7,12,23H,1-3,8-11H2,(H,20,22)
InChIKeyKCOMLHYZTSPXJY-UHFFFAOYSA-N
XLogP2.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide 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

N-hydroxy-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 11848948
N-hydroxy-4-[1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylpiperidin-4-yl]butanamide
CID 57403166
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3855275
1-(cyclopropylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 87024873
1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 63030803
N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide
CID 69085659
N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
1-(4-fluorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27052613
4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 71781207
1-(4-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25402530

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide?
The IUPAC name of N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide (CID 57390847) is N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide.
What is the SMILES notation for N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide?
The canonical SMILES for N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide is O=C(CCCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NO.
What is the InChIKey of N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide?
The InChIKey is KCOMLHYZTSPXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c17-16(18,19)13-4-6-14(7-5-13)26(24,25)21-10-8-12(9-11-21)2-1-3-15(22)20-23/h4-7,12,23H,1-3,8-11H2,(H,20,22).
What are the key properties of N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide?
N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide has a molecular weight of 394.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide is sourced from PubChem (CID 57390847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).