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

C13H14BrN3O2S — CID 114379639

IUPAC3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C13H14BrN3O2S/c1-8-7-16-4-3-12(8)17-20(18,19)13-6-10(14)5-11(15)9(13)2/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyBLZHECZHBCYUCD-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.84
Rot. Bonds3

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

3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 114379639) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID114379639
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C13H14BrN3O2S/c1-8-7-16-4-3-12(8)17-20(18,19)13-6-10(14)5-11(15)9(13)2/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyBLZHECZHBCYUCD-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

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
2-amino-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 63672409
N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254
3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
CID 114378718

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 114379639) is 3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is Cc1cnccc1NS(=O)(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is BLZHECZHBCYUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-8-7-16-4-3-12(8)17-20(18,19)13-6-10(14)5-11(15)9(13)2/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide 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 3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 114379639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).