2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide

C12H10Br2ClN3O2S — CID 104725117

IUPAC2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(Br)cnc2N)cc1Cl
InChIInChI=1S/C12H10Br2ClN3O2S/c1-6-2-8(14)10(4-9(6)15)18-21(19,20)11-3-7(13)5-17-12(11)16/h2-5,18H,1H3,(H2,16,17)
InChIKeyBCQHBEVVMHDZAS-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.95
Rot. Bonds3

About 2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide (PubChem CID 104725117) has the molecular formula C12H10Br2ClN3O2S and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide
PubChem CID104725117
Molecular FormulaC12H10Br2ClN3O2S
Molecular Weight455.56 g/mol
Exact Mass452.85
IUPAC Name2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(Br)cnc2N)cc1Cl
InChIInChI=1S/C12H10Br2ClN3O2S/c1-6-2-8(14)10(4-9(6)15)18-21(19,20)11-3-7(13)5-17-12(11)16/h2-5,18H,1H3,(H2,16,17)
InChIKeyBCQHBEVVMHDZAS-UHFFFAOYSA-N
XLogP3.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 22515878
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 107593897
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-5-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62143669
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
2-amino-5-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 103844082
2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525
N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 104724505
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515844

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide (CID 104725117) is 2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2cc(Br)cnc2N)cc1Cl.
What is the InChIKey of 2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is BCQHBEVVMHDZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClN3O2S/c1-6-2-8(14)10(4-9(6)15)18-21(19,20)11-3-7(13)5-17-12(11)16/h2-5,18H,1H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 455.56 g/mol, XLogP of 3.95, 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-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 104725117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).