N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide

C19H22FN3O4S — CID 88918866

IUPACN-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
SMILESO=CN(O)[C@H](CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O4S/c20-17-6-8-18(9-7-17)21-10-12-22(13-11-21)28(26,27)14-19(23(25)15-24)16-4-2-1-3-5-16/h1-9,15,19,25H,10-14H2/t19-/m1/s1
InChIKeyLYECJMAYPJJYEB-LJQANCHMSA-N
MW407.47 g/mol
LogP1.87
Rot. Bonds7

About N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide

N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide (PubChem CID 88918866) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
PubChem CID88918866
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
SMILESO=CN(O)[C@H](CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O4S/c20-17-6-8-18(9-7-17)21-10-12-22(13-11-21)28(26,27)14-19(23(25)15-24)16-4-2-1-3-5-16/h1-9,15,19,25H,10-14H2/t19-/m1/s1
InChIKeyLYECJMAYPJJYEB-LJQANCHMSA-N
XLogP1.87
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-phenylbut-3-yn-2-yl]-N-hydroxyformamide;N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-phenylbut-3-yn-2-yl]-N-hydroxyformamide
CID 159121817
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide
CID 88918963
N-[amino-[4-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-[formyl(hydroxy)amino]but-1-ynyl]phenyl]methylidene]formamide
CID 143249468
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-phenylbut-3-yn-2-yl]oxyformamide
CID 87846088
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-phenylbut-3-yn-2-yl]carbamic acid
CID 67298299
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-[4-(1,2,4-oxadiazol-3-yl)phenyl]but-3-yn-2-yl]-N-hydroxyformamide
CID 11555096
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(4-fluorophenyl)-4-(4-phenylbut-3-ynylsulfonyl)piperazine
CID 141149155
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine
CID 22719710
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
The IUPAC name of N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide (CID 88918866) is N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
The canonical SMILES for N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide is O=CN(O)[C@H](CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
The InChIKey is LYECJMAYPJJYEB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c20-17-6-8-18(9-7-17)21-10-12-22(13-11-21)28(26,27)14-19(23(25)15-24)16-4-2-1-3-5-16/h1-9,15,19,25H,10-14H2/t19-/m1/s1.
What are the key properties of N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide?
N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide has a molecular weight of 407.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide is sourced from PubChem (CID 88918866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).