3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide

C12H8F4N2O2S — CID 107343056

IUPAC3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1F
InChIInChI=1S/C12H8F4N2O2S/c13-6-3-7(14)5-8(4-6)18-21(19,20)10-2-1-9(15)12(17)11(10)16/h1-5,18H,17H2
InChIKeyISZCWMJUXQRTCY-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.63
Rot. Bonds3

About 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide

3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 107343056) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
PubChem CID107343056
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC Name3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1F
InChIInChI=1S/C12H8F4N2O2S/c13-6-3-7(14)5-8(4-6)18-21(19,20)10-2-1-9(15)12(17)11(10)16/h1-5,18H,17H2
InChIKeyISZCWMJUXQRTCY-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.63
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

3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107363524
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809639
3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343064
3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 107343891
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343922
3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 107343103
3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 107343733
3-amino-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 107343683
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide (CID 107343056) is 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1F.
What is the InChIKey of 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is ISZCWMJUXQRTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c13-6-3-7(14)5-8(4-6)18-21(19,20)10-2-1-9(15)12(17)11(10)16/h1-5,18H,17H2.
What are the key properties of 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide?
3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 320.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107343056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).