4-amino-N-(3,4-difluorophenyl)benzenesulfonamide

C12H10F2N2O2S — CID 16790684

IUPAC4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C12H10F2N2O2S/c13-11-6-3-9(7-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H,15H2
InChIKeyOUKRIDAKGDFCOD-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.35
Rot. Bonds3

About 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide

4-amino-N-(3,4-difluorophenyl)benzenesulfonamide (PubChem CID 16790684) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
PubChem CID16790684
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C12H10F2N2O2S/c13-11-6-3-9(7-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H,15H2
InChIKeyOUKRIDAKGDFCOD-UHFFFAOYSA-N
XLogP2.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.35
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

4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide (CID 16790684) is 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide?
The InChIKey is OUKRIDAKGDFCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-11-6-3-9(7-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H,15H2.
What are the key properties of 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide?
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide has a molecular weight of 284.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 16790684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).