N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide

C12H10Br3N3O2S — CID 81320241

IUPACN-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ncc(N)cc2Br)cc1Br
InChIInChI=1S/C12H10Br3N3O2S/c1-6-2-9(14)11(4-8(6)13)21(19,20)18-12-10(15)3-7(16)5-17-12/h2-5H,16H2,1H3,(H,17,18)
InChIKeyFVZNHRCQOMHSJU-UHFFFAOYSA-N
MW500.01 g/mol
LogP4.06
Rot. Bonds3

About N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide

N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide (PubChem CID 81320241) has the molecular formula C12H10Br3N3O2S and a molecular weight of 500.01 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide
PubChem CID81320241
Molecular FormulaC12H10Br3N3O2S
Molecular Weight500.01 g/mol
Exact Mass496.80
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ncc(N)cc2Br)cc1Br
InChIInChI=1S/C12H10Br3N3O2S/c1-6-2-9(14)11(4-8(6)13)21(19,20)18-12-10(15)3-7(16)5-17-12/h2-5H,16H2,1H3,(H,17,18)
InChIKeyFVZNHRCQOMHSJU-UHFFFAOYSA-N
XLogP4.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.01
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399568
3-bromo-2-N-(propan-2-ylsulfamoyl)pyridine-2,5-diamine
CID 114804831
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 81326894
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 45100413
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 81326724
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 80708187
2,5-dibromo-N-(4-iodophenyl)-4-methylbenzenesulfonamide
CID 81327829
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide (CID 81320241) is N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2ncc(N)cc2Br)cc1Br.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide?
The InChIKey is FVZNHRCQOMHSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3N3O2S/c1-6-2-9(14)11(4-8(6)13)21(19,20)18-12-10(15)3-7(16)5-17-12/h2-5H,16H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide?
N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide has a molecular weight of 500.01 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 81320241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).