2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide

C16H23F2N3O4S — CID 87699523

IUPAC2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(CS(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1)C(=O)NO
InChIInChI=1S/C16H23F2N3O4S/c1-11(2)13(16(22)19-23)10-26(24,25)21-7-5-20(6-8-21)15-4-3-12(17)9-14(15)18/h3-4,9,11,13,23H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyRCJDYWVXNIBNDJ-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.19
Rot. Bonds6

About 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide

2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide (PubChem CID 87699523) has the molecular formula C16H23F2N3O4S and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
PubChem CID87699523
Molecular FormulaC16H23F2N3O4S
Molecular Weight391.44 g/mol
Exact Mass391.14
IUPAC Name2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(CS(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1)C(=O)NO
InChIInChI=1S/C16H23F2N3O4S/c1-11(2)13(16(22)19-23)10-26(24,25)21-7-5-20(6-8-21)15-4-3-12(17)9-14(15)18/h3-4,9,11,13,23H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyRCJDYWVXNIBNDJ-UHFFFAOYSA-N
XLogP1.19
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine
CID 113079918
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
1-(3,5-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)piperazine
CID 3816055
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
1-(2,4-difluorophenyl)-4-(4-phenylbutan-2-yl)piperazine
CID 123523623
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 17487365
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
1-(2,4-difluorophenyl)-4-hexylpiperazine
CID 59254947
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 95348554
1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 138106003

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide (CID 87699523) is 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide is CC(C)C(CS(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1)C(=O)NO.
What is the InChIKey of 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
The InChIKey is RCJDYWVXNIBNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O4S/c1-11(2)13(16(22)19-23)10-26(24,25)21-7-5-20(6-8-21)15-4-3-12(17)9-14(15)18/h3-4,9,11,13,23H,5-8,10H2,1-2H3,(H,19,22).
What are the key properties of 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide has a molecular weight of 391.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,4-difluorophenyl)piperazin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 87699523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).