5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide

C12H10BrF2N3O2S — CID 83166077

IUPAC5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H10BrF2N3O2S/c1-6-2-7(13)5-17-12(6)18-21(19,20)11-4-10(16)8(14)3-9(11)15/h2-5H,16H2,1H3,(H,17,18)
InChIKeySICSLQPUUHJHJF-UHFFFAOYSA-N
MW378.20 g/mol
LogP2.81
Rot. Bonds3

About 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide

5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide (PubChem CID 83166077) has the molecular formula C12H10BrF2N3O2S and a molecular weight of 378.20 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
PubChem CID83166077
Molecular FormulaC12H10BrF2N3O2S
Molecular Weight378.20 g/mol
Exact Mass376.96
IUPAC Name5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H10BrF2N3O2S/c1-6-2-7(13)5-17-12(6)18-21(19,20)11-4-10(16)8(14)3-9(11)15/h2-5H,16H2,1H3,(H,17,18)
InChIKeySICSLQPUUHJHJF-UHFFFAOYSA-N
XLogP2.81
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide with MolForge

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Related Compounds

2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 81421965
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115731782
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-6-methylbenzenesulfonamide
CID 83166511
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide (CID 83166077) is 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is SICSLQPUUHJHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O2S/c1-6-2-7(13)5-17-12(6)18-21(19,20)11-4-10(16)8(14)3-9(11)15/h2-5H,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 378.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 83166077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).