(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide

C17H18FN3O4S — CID 141017724

IUPAC(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
SMILESO=C(NO)[C@H]1CNCCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O4S/c18-14-5-1-12(2-6-14)13-3-7-15(8-4-13)26(24,25)21-10-9-19-11-16(21)17(22)20-23/h1-8,16,19,23H,9-11H2,(H,20,22)/t16-/m1/s1
InChIKeyNGRDXOZBDDTAJW-MRXNPFEDSA-N
MW379.41 g/mol
LogP0.96
Rot. Bonds4

About (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide

(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide (PubChem CID 141017724) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
PubChem CID141017724
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
SMILESO=C(NO)[C@H]1CNCCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O4S/c18-14-5-1-12(2-6-14)13-3-7-15(8-4-13)26(24,25)21-10-9-19-11-16(21)17(22)20-23/h1-8,16,19,23H,9-11H2,(H,20,22)/t16-/m1/s1
InChIKeyNGRDXOZBDDTAJW-MRXNPFEDSA-N
XLogP0.96
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.96
H-Bond Donors ≤ 53
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

N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride
CID 22592893
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18659875
(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 166637066
(3R)-7-amino-2-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10527121
methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2R)-N-[(4-propylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide
CID 141192951
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 161339036
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 161339035
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide (CID 141017724) is (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide is O=C(NO)[C@H]1CNCCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
The InChIKey is NGRDXOZBDDTAJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c18-14-5-1-12(2-6-14)13-3-7-15(8-4-13)26(24,25)21-10-9-19-11-16(21)17(22)20-23/h1-8,16,19,23H,9-11H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide is sourced from PubChem (CID 141017724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).