(2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide

C13H17F2N3O5S — CID 59294698

IUPAC(2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide
SMILESCOc1c(F)cc(S(=O)(=O)N2CCN(C)C[C@@H]2C(=O)NO)cc1F
InChIInChI=1S/C13H17F2N3O5S/c1-17-3-4-18(11(7-17)13(19)16-20)24(21,22)8-5-9(14)12(23-2)10(15)6-8/h5-6,11,20H,3-4,7H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyWLOPRVOJHWXTPO-LLVKDONJSA-N
MW365.36 g/mol
LogP-0.22
Rot. Bonds4

About (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide

(2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide (PubChem CID 59294698) has the molecular formula C13H17F2N3O5S and a molecular weight of 365.36 g/mol. Its IUPAC name is (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide
PubChem CID59294698
Molecular FormulaC13H17F2N3O5S
Molecular Weight365.36 g/mol
Exact Mass365.09
IUPAC Name(2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide
SMILESCOc1c(F)cc(S(=O)(=O)N2CCN(C)C[C@@H]2C(=O)NO)cc1F
InChIInChI=1S/C13H17F2N3O5S/c1-17-3-4-18(11(7-17)13(19)16-20)24(21,22)8-5-9(14)12(23-2)10(15)6-8/h5-6,11,20H,3-4,7H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyWLOPRVOJHWXTPO-LLVKDONJSA-N
XLogP-0.22
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(2S)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-(2-methoxyethyl)piperazine-2-carboxamide
CID 10074901
(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-(2-oxobutyl)piperazine-2-carboxamide
CID 58215067
(2S)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-[2-(methylamino)-2-oxoethyl]piperazine-2-carboxamide
CID 10052333
(2R)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-4-(3,5-difluoro-4-hydroxybenzoyl)-N-hydroxypiperazine-2-carboxamide
CID 89115248
(2S)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxy-4-(2-morpholin-4-ylacetyl)piperazine-2-carboxamide
CID 10031025
N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide
CID 54555315
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(4-methylpiperazin-1-yl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 101199613
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 10716486
4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 10550304
3-fluoro-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylaniline
CID 114624782
(2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
CID 54303971

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide (CID 59294698) is (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide is COc1c(F)cc(S(=O)(=O)N2CCN(C)C[C@@H]2C(=O)NO)cc1F.
What is the InChIKey of (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide?
The InChIKey is WLOPRVOJHWXTPO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17F2N3O5S/c1-17-3-4-18(11(7-17)13(19)16-20)24(21,22)8-5-9(14)12(23-2)10(15)6-8/h5-6,11,20H,3-4,7H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide?
(2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide is sourced from PubChem (CID 59294698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).