5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide

C12H9BrClFN2O2S — CID 43257572

IUPAC5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-7-2-1-3-9(4-7)17-20(18,19)11-6-8(16)5-10(14)12(11)15/h1-6,17H,16H2
InChIKeyTXIHEQQAOGIPRY-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.62
Rot. Bonds3

About 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide

5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 43257572) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide
PubChem CID43257572
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC Name5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-7-2-1-3-9(4-7)17-20(18,19)11-6-8(16)5-10(14)12(11)15/h1-6,17H,16H2
InChIKeyTXIHEQQAOGIPRY-UHFFFAOYSA-N
XLogP3.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.62
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 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide (CID 43257572) is 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is TXIHEQQAOGIPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c13-7-2-1-3-9(4-7)17-20(18,19)11-6-8(16)5-10(14)12(11)15/h1-6,17H,16H2.
What are the key properties of 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide?
5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 379.64 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromophenyl)-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43257572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).