N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide

C12H12BrN3O2S — CID 61360192

IUPACN-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide
SMILESCN(c1ccncc1N)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H12BrN3O2S/c1-16(11-6-7-15-8-10(11)14)19(17,18)12-5-3-2-4-9(12)13/h2-8H,14H2,1H3
InChIKeyCCSWDVHYCAEVMZ-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.25
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide

N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide (PubChem CID 61360192) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide
PubChem CID61360192
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC NameN-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide
SMILESCN(c1ccncc1N)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H12BrN3O2S/c1-16(11-6-7-15-8-10(11)14)19(17,18)12-5-3-2-4-9(12)13/h2-8H,14H2,1H3
InChIKeyCCSWDVHYCAEVMZ-UHFFFAOYSA-N
XLogP2.25
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide
CID 61359217
N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide
CID 61359410
3-amino-4-[methyl(sulfamoyl)amino]pyridine
CID 114958702
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 61360190
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 61358244
N-(3-amino-4-pyridinyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 61358245
N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80691123
5-amino-2-bromo-N-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 65206750
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
CID 63856219

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide (CID 61360192) is N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide is CN(c1ccncc1N)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide?
The InChIKey is CCSWDVHYCAEVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-16(11-6-7-15-8-10(11)14)19(17,18)12-5-3-2-4-9(12)13/h2-8H,14H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide?
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 61360192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).