5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide

C11H9FN4O4S — CID 107595401

IUPAC5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C11H9FN4O4S/c12-8-6-14-4-3-9(8)15-21(19,20)11-5-7(13)1-2-10(11)16(17)18/h1-6H,13H2,(H,14,15)
InChIKeyHLKBNHJBDNQCSK-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.51
Rot. Bonds4

About 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide

5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide (PubChem CID 107595401) has the molecular formula C11H9FN4O4S and a molecular weight of 312.28 g/mol. Its IUPAC name is 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide
PubChem CID107595401
Molecular FormulaC11H9FN4O4S
Molecular Weight312.28 g/mol
Exact Mass312.03
IUPAC Name5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C11H9FN4O4S/c12-8-6-14-4-3-9(8)15-21(19,20)11-5-7(13)1-2-10(11)16(17)18/h1-6H,13H2,(H,14,15)
InChIKeyHLKBNHJBDNQCSK-UHFFFAOYSA-N
XLogP1.51
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-fluoro-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 107595435
5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 107594731
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107594699
4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 62144738
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
4-amino-2-fluoro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201311
5-amino-N-(5-bromo-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 62146498
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide (CID 107595401) is 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide is Nc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccncc2F)c1.
What is the InChIKey of 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide?
The InChIKey is HLKBNHJBDNQCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O4S/c12-8-6-14-4-3-9(8)15-21(19,20)11-5-7(13)1-2-10(11)16(17)18/h1-6H,13H2,(H,14,15).
What are the key properties of 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide?
5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide has a molecular weight of 312.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 107595401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).