2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide

C12H9BrF2N2O2S — CID 43257844

IUPAC2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H9BrF2N2O2S/c13-7-1-2-12(11(16)3-7)20(18,19)17-10-5-8(14)4-9(15)6-10/h1-6,17H,16H2
InChIKeyZGEDKAXBIHDWEH-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.11
Rot. Bonds3

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

2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide (PubChem CID 43257844) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide
PubChem CID43257844
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC Name2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H9BrF2N2O2S/c13-7-1-2-12(11(16)3-7)20(18,19)17-10-5-8(14)4-9(15)6-10/h1-6,17H,16H2
InChIKeyZGEDKAXBIHDWEH-UHFFFAOYSA-N
XLogP3.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide (CID 43257844) is 2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide?
The InChIKey is ZGEDKAXBIHDWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c13-7-1-2-12(11(16)3-7)20(18,19)17-10-5-8(14)4-9(15)6-10/h1-6,17H,16H2.
What are the key properties of 2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide?
2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide has a molecular weight of 363.18 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(3,5-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 43257844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).