1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide

C11H14FN3O6S2 — CID 75400396

IUPAC1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H14FN3O6S2/c12-8-4-9(15(16)17)6-11(5-8)23(20,21)14-3-1-2-10(7-14)22(13,18)19/h4-6,10H,1-3,7H2,(H2,13,18,19)
InChIKeyJFHAFNRHPLJCMM-UHFFFAOYSA-N
MW367.38 g/mol
LogP0.18
Rot. Bonds4

About 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide

1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide (PubChem CID 75400396) has the molecular formula C11H14FN3O6S2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide
PubChem CID75400396
Molecular FormulaC11H14FN3O6S2
Molecular Weight367.38 g/mol
Exact Mass367.03
IUPAC Name1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H14FN3O6S2/c12-8-4-9(15(16)17)6-11(5-8)23(20,21)14-3-1-2-10(7-14)22(13,18)19/h4-6,10H,1-3,7H2,(H2,13,18,19)
InChIKeyJFHAFNRHPLJCMM-UHFFFAOYSA-N
XLogP0.18
TPSA140.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide
CID 97257934
1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132459
1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132771
1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132458
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
piperidine-1,3-disulfonamide
CID 115897696
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
3-nitro-5-(3-sulfamoylpiperidine-1-carbonyl)benzoic acid
CID 155962765
(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
CID 93033901
(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
CID 119962853

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide (CID 75400396) is 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1.
What is the InChIKey of 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is JFHAFNRHPLJCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O6S2/c12-8-4-9(15(16)17)6-11(5-8)23(20,21)14-3-1-2-10(7-14)22(13,18)19/h4-6,10H,1-3,7H2,(H2,13,18,19).
What are the key properties of 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide?
1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 367.38 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 75400396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).