1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide

C16H18FN3O6S3 — CID 18387690

IUPAC1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)C(C(=O)NO)C1
InChIInChI=1S/C16H18FN3O6S3/c1-28(23,24)19-8-9-20(13(10-19)16(21)18-22)29(25,26)15-7-6-14(27-15)11-2-4-12(17)5-3-11/h2-7,13,22H,8-10H2,1H3,(H,18,21)
InChIKeyYFWUVSPVKPCLSA-UHFFFAOYSA-N
MW463.53 g/mol
LogP0.69
Rot. Bonds5

About 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide

1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide (PubChem CID 18387690) has the molecular formula C16H18FN3O6S3 and a molecular weight of 463.53 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
PubChem CID18387690
Molecular FormulaC16H18FN3O6S3
Molecular Weight463.53 g/mol
Exact Mass463.03
IUPAC Name1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)C(C(=O)NO)C1
InChIInChI=1S/C16H18FN3O6S3/c1-28(23,24)19-8-9-20(13(10-19)16(21)18-22)29(25,26)15-7-6-14(27-15)11-2-4-12(17)5-3-11/h2-7,13,22H,8-10H2,1H3,(H,18,21)
InChIKeyYFWUVSPVKPCLSA-UHFFFAOYSA-N
XLogP0.69
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

sodium;(2R)-1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide;hydride
CID 173236124
(2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
CID 54303971
(2R)-N-hydroxy-4-[methyl(propyl)sulfamoyl]-1-(5-phenylthiophen-2-yl)sulfonylpiperazine-2-carboxamide
CID 54338095
4-methylsulfonyl-N-(oxan-2-yloxy)-1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]sulfonylpiperazine-2-carboxamide
CID 18387790
(2R)-1-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide
CID 54522637
[4-[5-[(2R)-4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl]methyl acetate
CID 22901471
(2R)-4-butanoyl-1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide
CID 54549013
ethyl 2-[[4-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-3-(oxan-2-yloxycarbamoyl)piperazine-1-carbonyl]amino]acetate
CID 18387686
(2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 162810420
1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78522962
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 141017724

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide?
The IUPAC name of 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide (CID 18387690) is 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide is CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)C(C(=O)NO)C1.
What is the InChIKey of 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide?
The InChIKey is YFWUVSPVKPCLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O6S3/c1-28(23,24)19-8-9-20(13(10-19)16(21)18-22)29(25,26)15-7-6-14(27-15)11-2-4-12(17)5-3-11/h2-7,13,22H,8-10H2,1H3,(H,18,21).
What are the key properties of 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide?
1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 18387690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).