N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide

C12H9F3N2O2S — CID 43604908

IUPACN-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
SMILESNc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C12H9F3N2O2S/c13-7-3-8(14)5-10(4-7)20(18,19)17-9-1-2-11(15)12(16)6-9/h1-6,17H,16H2
InChIKeyMUMQYHYNDBLJIX-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.49
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide

N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide (PubChem CID 43604908) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
PubChem CID43604908
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC NameN-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
SMILESNc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C12H9F3N2O2S/c13-7-3-8(14)5-10(4-7)20(18,19)17-9-1-2-11(15)12(16)6-9/h1-6,17H,16H2
InChIKeyMUMQYHYNDBLJIX-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
4-[(3-amino-4-fluorophenyl)sulfamoyl]benzamide
CID 43604881
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837099
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide (CID 43604908) is N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide is Nc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is MUMQYHYNDBLJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c13-7-3-8(14)5-10(4-7)20(18,19)17-9-1-2-11(15)12(16)6-9/h1-6,17H,16H2.
What are the key properties of N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide?
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide has a molecular weight of 302.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 43604908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).