2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide

C12H10FN3O4S — CID 62153847

IUPAC2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H10FN3O4S/c13-9-7-8(16(17)18)5-6-11(9)15-21(19,20)12-4-2-1-3-10(12)14/h1-7,15H,14H2
InChIKeyIZHJMPQOXLGIAD-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide

2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide (PubChem CID 62153847) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
PubChem CID62153847
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC Name2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H10FN3O4S/c13-9-7-8(16(17)18)5-6-11(9)15-21(19,20)12-4-2-1-3-10(12)14/h1-7,15H,14H2
InChIKeyIZHJMPQOXLGIAD-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-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 60640802
2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
CID 62143538
N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid
CID 16773625
2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
CID 62145197
N-(2-fluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 47062690
N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 47062701
N-(4-bromo-2-fluorophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822705
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079927
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide (CID 62153847) is 2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide?
The InChIKey is IZHJMPQOXLGIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c13-9-7-8(16(17)18)5-6-11(9)15-21(19,20)12-4-2-1-3-10(12)14/h1-7,15H,14H2.
What are the key properties of 2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide?
2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide 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-(2-fluoro-4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 62153847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).