3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide

C12H10BrFN2O3S — CID 107624656

IUPAC3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(F)ccc2Br)ccc1O
InChIInChI=1S/C12H10BrFN2O3S/c13-9-3-1-7(14)5-11(9)16-20(18,19)8-2-4-12(17)10(15)6-8/h1-6,16-17H,15H2
InChIKeyVNJUFEINTJMDBQ-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.68
Rot. Bonds3

About 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide

3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide (PubChem CID 107624656) has the molecular formula C12H10BrFN2O3S and a molecular weight of 361.19 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
PubChem CID107624656
Molecular FormulaC12H10BrFN2O3S
Molecular Weight361.19 g/mol
Exact Mass359.96
IUPAC Name3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(F)ccc2Br)ccc1O
InChIInChI=1S/C12H10BrFN2O3S/c13-9-3-1-7(14)5-11(9)16-20(18,19)8-2-4-12(17)10(15)6-8/h1-6,16-17H,15H2
InChIKeyVNJUFEINTJMDBQ-UHFFFAOYSA-N
XLogP2.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-bromo-2-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 29040272
3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide
CID 115328712
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 61076963
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 103752842
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
3-amino-4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 115329248
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide (CID 107624656) is 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cc(F)ccc2Br)ccc1O.
What is the InChIKey of 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide?
The InChIKey is VNJUFEINTJMDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S/c13-9-3-1-7(14)5-11(9)16-20(18,19)8-2-4-12(17)10(15)6-8/h1-6,16-17H,15H2.
What are the key properties of 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide?
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide has a molecular weight of 361.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 107624656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).