4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide

C11H14FN3O4S — CID 63321601

IUPAC4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NC1CCCNC1
InChIInChI=1S/C11H14FN3O4S/c12-8-3-4-11(10(6-8)15(16)17)20(18,19)14-9-2-1-5-13-7-9/h3-4,6,9,13-14H,1-2,5,7H2
InChIKeyHPMQNZCJIKQDBF-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.76
Rot. Bonds4

About 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide

4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 63321601) has the molecular formula C11H14FN3O4S and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide
PubChem CID63321601
Molecular FormulaC11H14FN3O4S
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NC1CCCNC1
InChIInChI=1S/C11H14FN3O4S/c12-8-3-4-11(10(6-8)15(16)17)20(18,19)14-9-2-1-5-13-7-9/h3-4,6,9,13-14H,1-2,5,7H2
InChIKeyHPMQNZCJIKQDBF-UHFFFAOYSA-N
XLogP0.76
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
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

2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723641
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
5-bromo-2-nitro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964575
4-chloro-2-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686245
N-(3-aminocyclobutyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43597679
2-methyl-3-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716604
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
N-(2-aminocyclopropyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43596896
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982546
4-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]-2-nitrobenzenesulfonamide
CID 43597115
2,3-dimethyl-5-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716707

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide (CID 63321601) is 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide is O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NC1CCCNC1.
What is the InChIKey of 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is HPMQNZCJIKQDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c12-8-3-4-11(10(6-8)15(16)17)20(18,19)14-9-2-1-5-13-7-9/h3-4,6,9,13-14H,1-2,5,7H2.
What are the key properties of 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide?
4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 303.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nitro-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63321601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).