2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide

C13H14BrN3O2S — CID 22515879

IUPAC2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1C
InChIInChI=1S/C13H14BrN3O2S/c1-8-3-4-11(5-9(8)2)17-20(18,19)12-6-10(14)7-16-13(12)15/h3-7,17H,1-2H3,(H2,15,16)
InChIKeyCAOSKGCVCUAAKY-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide (PubChem CID 22515879) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
PubChem CID22515879
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1C
InChIInChI=1S/C13H14BrN3O2S/c1-8-3-4-11(5-9(8)2)17-20(18,19)12-6-10(14)7-16-13(12)15/h3-7,17H,1-2H3,(H2,15,16)
InChIKeyCAOSKGCVCUAAKY-UHFFFAOYSA-N
XLogP2.84
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-N-(2-pyridyl)benzenesulfonamide
CID 786085
2-[(2-amino-5-bromo-3-pyridyl)sulfonyl-methyl-amino]-N-(4-isopropylphenyl)acetamide
CID 22516463
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
N-(5-Bromo-2-pyridinyl)-2-naphthalenesulfonamide
CID 1122744
N-(3-bromo-5-methylpyridin-2-yl)benzenesulfonamide
CID 2809495
N-{2-[(3,5-Dibromo-pyridin-2-ylamino)-methyl]-phenyl}-4-methyl-benzenesulfonamide
CID 3723465
5-(dimethylamino)-N-(5-bromo-3-methyl-2-pyridyl)-1-naphthalenesulphonamide
CID 10645779
4-amino-N-(5-methyl-2-pyridinyl)Benzenesulfonamide
CID 3663786
2-[(2-amino-5-bromo-3-pyridyl)sulfonyl-methyl-amino]-N-(4-bromo-3-methyl-phenyl)acetamide
CID 5070903
N,N-dimethyl-6-[3-(trifluoromethyl)anilino]-3-pyridinesulfonamide
CID 902070
N-(2-{[(5-bromo-2-pyridinyl)amino]methyl}phenyl)-4-methylbenzenesulfonamide
CID 1314313
2-amino-5-bromo-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 3241190

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide (CID 22515879) is 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1C.
What is the InChIKey of 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide?
The InChIKey is CAOSKGCVCUAAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-8-3-4-11(5-9(8)2)17-20(18,19)12-6-10(14)7-16-13(12)15/h3-7,17H,1-2H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 22515879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).