1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide

C18H18FN3O5S — CID 1327503

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18FN3O5S/c19-14-4-6-17(7-5-14)28(26,27)21-10-8-13(9-11-21)18(23)20-15-2-1-3-16(12-15)22(24)25/h1-7,12-13H,8-11H2,(H,20,23)
InChIKeyZSHKQWRXSVEUSQ-UHFFFAOYSA-N
MW407.42 g/mol
LogP2.77
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide (PubChem CID 1327503) has the molecular formula C18H18FN3O5S and a molecular weight of 407.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
PubChem CID1327503
Molecular FormulaC18H18FN3O5S
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18FN3O5S/c19-14-4-6-17(7-5-14)28(26,27)21-10-8-13(9-11-21)18(23)20-15-2-1-3-16(12-15)22(24)25/h1-7,12-13H,8-11H2,(H,20,23)
InChIKeyZSHKQWRXSVEUSQ-UHFFFAOYSA-N
XLogP2.77
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-{[(4-fluoro-3-nitrophenyl)amino]sulfonyl}phenyl)acetamide
CID 1118251
N-(3-(4-((1-(4-fluorophenylsulfonyl)piperidin-4-yl)methyl)piperazin-1-yl)phenyl)acetamide
CID 10005122
N-(2-fluorophenyl)-1-(phenylsulfonyl)-3-piperidinecarboxamide
CID 2990599
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-tert-butylacetamide
CID 3119038
N-(2-Fluorophenyl)-3-[4-(3-nitrobenzenesulfonyl)piperazin-1-YL]propanamide
CID 24789945
1-(2,4-dimethylphenyl)sulfonyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 28080623
N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 57391544
2-(N-(3-fluorophenyl)sulfonyl-3-nitroanilino)-N-hydroxyacetamide
CID 168296539
1-(methylsulfonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 891762
2-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 891802
N~1~-(3-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 893010
N-(methylethyl)-2-[(3-nitrophenyl)(phenylsulfonyl)amino]acetamide
CID 4149143

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide (CID 1327503) is 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is ZSHKQWRXSVEUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O5S/c19-14-4-6-17(7-5-14)28(26,27)21-10-8-13(9-11-21)18(23)20-15-2-1-3-16(12-15)22(24)25/h1-7,12-13H,8-11H2,(H,20,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1327503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).