2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide

C12H10FN3O4S — CID 62145197

IUPAC2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN3O4S/c13-8-2-1-3-9(6-8)15-21(19,20)12-7-10(16(17)18)4-5-11(12)14/h1-7,15H,14H2
InChIKeyBTDSRBXROZPOJN-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide

2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide (PubChem CID 62145197) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
PubChem CID62145197
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC Name2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN3O4S/c13-8-2-1-3-9(6-8)15-21(19,20)12-7-10(16(17)18)4-5-11(12)14/h1-7,15H,14H2
InChIKeyBTDSRBXROZPOJN-UHFFFAOYSA-N
XLogP2.12
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
CID 61107352
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
CID 62153847
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
3-fluoro-N-(3-fluorophenyl)-4-nitrobenzenesulfonamide
CID 82813223
4-bromo-2-fluoro-N-(3-nitrophenyl)benzenesulfonamide
CID 116528167
N-(3-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147954
2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
CID 62148445
2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide (CID 62145197) is 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide is Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide?
The InChIKey is BTDSRBXROZPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c13-8-2-1-3-9(6-8)15-21(19,20)12-7-10(16(17)18)4-5-11(12)14/h1-7,15H,14H2.
What are the key properties of 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide?
2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide has a molecular weight of 311.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 62145197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).