N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide

C18H28FN3O4S — CID 88918963

IUPACN-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide
SMILESCCCCCC(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O
InChIInChI=1S/C18H28FN3O4S/c1-2-3-4-5-18(22(24)15-23)14-27(25,26)21-12-10-20(11-13-21)17-8-6-16(19)7-9-17/h6-9,15,18,24H,2-5,10-14H2,1H3
InChIKeyMOADQQVYUYTARD-UHFFFAOYSA-N
MW401.50 g/mol
LogP2.07
Rot. Bonds10

About N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide

N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide (PubChem CID 88918963) has the molecular formula C18H28FN3O4S and a molecular weight of 401.50 g/mol. Its IUPAC name is N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide
PubChem CID88918963
Molecular FormulaC18H28FN3O4S
Molecular Weight401.50 g/mol
Exact Mass401.18
IUPAC NameN-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide
SMILESCCCCCC(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O
InChIInChI=1S/C18H28FN3O4S/c1-2-3-4-5-18(22(24)15-23)14-27(25,26)21-12-10-20(11-13-21)17-8-6-16(19)7-9-17/h6-9,15,18,24H,2-5,10-14H2,1H3
InChIKeyMOADQQVYUYTARD-UHFFFAOYSA-N
XLogP2.07
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
CID 88918866
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-[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)piperidin-1-yl]sulfonylnon-3-yn-2-yl]-N-hydroxyformamide
CID 11647535
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226
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-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
CID 46230417
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide
CID 10204522

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide (CID 88918963) is N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide is CCCCCC(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O.
What is the InChIKey of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide?
The InChIKey is MOADQQVYUYTARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O4S/c1-2-3-4-5-18(22(24)15-23)14-27(25,26)21-12-10-20(11-13-21)17-8-6-16(19)7-9-17/h6-9,15,18,24H,2-5,10-14H2,1H3.
What are the key properties of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide?
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide has a molecular weight of 401.50 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 88918963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).