3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide

C12H11BrFN3O2S — CID 107596684

IUPAC3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide
SMILESNc1cc(Nc2c(F)cccc2Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H11BrFN3O2S/c13-10-2-1-3-11(14)12(10)17-8-4-7(15)5-9(6-8)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyIZZXQTXWZSMEQS-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.56
Rot. Bonds3

About 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide

3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide (PubChem CID 107596684) has the molecular formula C12H11BrFN3O2S and a molecular weight of 360.21 g/mol. Its IUPAC name is 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide
PubChem CID107596684
Molecular FormulaC12H11BrFN3O2S
Molecular Weight360.21 g/mol
Exact Mass358.97
IUPAC Name3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide
SMILESNc1cc(Nc2c(F)cccc2Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H11BrFN3O2S/c13-10-2-1-3-11(14)12(10)17-8-4-7(15)5-9(6-8)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyIZZXQTXWZSMEQS-UHFFFAOYSA-N
XLogP2.56
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(2-bromo-6-fluoroanilino)-2-methylbenzenesulfonamide
CID 107596732
3-amino-5-(4-bromo-2,6-dimethylanilino)benzenesulfonamide
CID 65468682
3-N-(2-bromo-6-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 107596767
1-N-(2-bromo-6-fluorophenyl)-2,6-dichlorobenzene-1,4-diamine
CID 107596742
3-amino-5-(4-ethylanilino)benzenesulfonamide
CID 60987876
3-amino-5-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 79769202
5-amino-2-(2-bromo-6-fluoroanilino)-N-methylbenzenesulfonamide
CID 107596756
3-amino-5-(4-bromo-2-cyanoanilino)benzenesulfonamide
CID 82692013
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
5-amino-N-(2-bromo-6-fluorophenyl)-2-methylbenzenesulfonamide
CID 107596369
4-amino-2-(2-bromo-6-fluoroanilino)benzoic acid
CID 107602748
4-amino-2-(2-bromo-6-fluoroanilino)benzamide
CID 107596749

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide (CID 107596684) is 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide is Nc1cc(Nc2c(F)cccc2Br)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide?
The InChIKey is IZZXQTXWZSMEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2S/c13-10-2-1-3-11(14)12(10)17-8-4-7(15)5-9(6-8)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide?
3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide has a molecular weight of 360.21 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-bromo-6-fluoroanilino)benzenesulfonamide is sourced from PubChem (CID 107596684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).