N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide

C12H12BrN3O2S — CID 60792229

IUPACN-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N)nc1
InChIInChI=1S/C12H12BrN3O2S/c1-8-2-3-9(13)6-11(8)19(17,18)16-10-4-5-12(14)15-7-10/h2-7,16H,1H3,(H2,14,15)
InChIKeyMJCJLRYHZFEOEN-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.54
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide

N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide (PubChem CID 60792229) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
PubChem CID60792229
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC NameN-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N)nc1
InChIInChI=1S/C12H12BrN3O2S/c1-8-2-3-9(13)6-11(8)19(17,18)16-10-4-5-12(14)15-7-10/h2-7,16H,1H3,(H2,14,15)
InChIKeyMJCJLRYHZFEOEN-UHFFFAOYSA-N
XLogP2.54
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053
5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 61216598
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
CID 60792562
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
N-(6-amino-3-pyridinyl)-5-bromothiophene-2-sulfonamide
CID 60790488
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
2-amino-4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 43257274
[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
CID 36511162
5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 107266690

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide (CID 60792229) is N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide?
The InChIKey is MJCJLRYHZFEOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-8-2-3-9(13)6-11(8)19(17,18)16-10-4-5-12(14)15-7-10/h2-7,16H,1H3,(H2,14,15).
What are the key properties of N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide?
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide is sourced from PubChem (CID 60792229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).