5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide

C12H9BrF2N2O2S — CID 65023507

IUPAC5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C12H9BrF2N2O2S/c13-8-3-1-2-4-10(8)17-20(18,19)11-6-7(16)5-9(14)12(11)15/h1-6,17H,16H2
InChIKeyQFGJGWAIDXMQAS-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.11
Rot. Bonds3

About 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide

5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide (PubChem CID 65023507) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
PubChem CID65023507
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC Name5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C12H9BrF2N2O2S/c13-8-3-1-2-4-10(8)17-20(18,19)11-6-7(16)5-9(14)12(11)15/h1-6,17H,16H2
InChIKeyQFGJGWAIDXMQAS-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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Related Compounds

5-amino-2,3-difluoro-N-(2-iodophenyl)benzenesulfonamide
CID 65022889
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
5-amino-N-(2-bromo-5-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 82744627
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 103477337
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide (CID 65023507) is 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide is Nc1cc(F)c(F)c(S(=O)(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is QFGJGWAIDXMQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c13-8-3-1-2-4-10(8)17-20(18,19)11-6-7(16)5-9(14)12(11)15/h1-6,17H,16H2.
What are the key properties of 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide?
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide 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 5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 65023507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).