N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide

C12H9BrClFN2O2S — CID 105399595

IUPACN-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1Br
InChIInChI=1S/C12H9BrClFN2O2S/c13-9-6-8(2-4-11(9)16)17-20(18,19)12-5-7(15)1-3-10(12)14/h1-6,17H,16H2
InChIKeyIYLOMBNBERLUAC-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.62
Rot. Bonds3

About N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide

N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105399595) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105399595
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC NameN-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1Br
InChIInChI=1S/C12H9BrClFN2O2S/c13-9-6-8(2-4-11(9)16)17-20(18,19)12-5-7(15)1-3-10(12)14/h1-6,17H,16H2
InChIKeyIYLOMBNBERLUAC-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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Related Compounds

N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
CID 82862185
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115649180
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399568
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105399595) is N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is IYLOMBNBERLUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c13-9-6-8(2-4-11(9)16)17-20(18,19)12-5-7(15)1-3-10(12)14/h1-6,17H,16H2.
What are the key properties of N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(4-amino-3-bromophenyl)-2-chloro-5-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 N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105399595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).