1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide

C12H12BrN3O2S — CID 43256634

IUPAC1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C12H12BrN3O2S/c13-10-4-5-12(15-7-10)16-19(17,18)8-9-2-1-3-11(14)6-9/h1-7H,8,14H2,(H,15,16)
InChIKeyGOGRZPKIZIATJB-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.37
Rot. Bonds4

About 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide

1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide (PubChem CID 43256634) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
PubChem CID43256634
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C12H12BrN3O2S/c13-10-4-5-12(15-7-10)16-19(17,18)8-9-2-1-3-11(14)6-9/h1-7H,8,14H2,(H,15,16)
InChIKeyGOGRZPKIZIATJB-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(3-fluorophenyl)methanesulfonamide
CID 71920939
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide
CID 79048786
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
1-(3-aminophenyl)-N-(2-bromo-4,6-difluorophenyl)methanesulfonamide
CID 43256792
1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107594674
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66351875
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 43256586
1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide (CID 43256634) is 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide is Nc1cccc(CS(=O)(=O)Nc2ccc(Br)cn2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide?
The InChIKey is GOGRZPKIZIATJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c13-10-4-5-12(15-7-10)16-19(17,18)8-9-2-1-3-11(14)6-9/h1-7H,8,14H2,(H,15,16).
What are the key properties of 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide?
1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 43256634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).