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

C14H16BrN3O2S — CID 83166245

IUPAC2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2ncc(Br)cc2C)cc1C
InChIInChI=1S/C14H16BrN3O2S/c1-8-5-12(16)13(6-9(8)2)21(19,20)18-14-10(3)4-11(15)7-17-14/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyQZRVJULUPMYMQL-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.15
Rot. Bonds3

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

2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 83166245) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
PubChem CID83166245
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)Nc2ncc(Br)cc2C)cc1C
InChIInChI=1S/C14H16BrN3O2S/c1-8-5-12(16)13(6-9(8)2)21(19,20)18-14-10(3)4-11(15)7-17-14/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyQZRVJULUPMYMQL-UHFFFAOYSA-N
XLogP3.15
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.15
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

5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 83166077
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-6-methylbenzenesulfonamide
CID 83166511
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide (CID 83166245) is 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(N)c(S(=O)(=O)Nc2ncc(Br)cc2C)cc1C.
What is the InChIKey of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is QZRVJULUPMYMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-8-5-12(16)13(6-9(8)2)21(19,20)18-14-10(3)4-11(15)7-17-14/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 83166245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).