N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide

C12H9BrCl2N2O2S — CID 79729132

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ncc1Br
InChIInChI=1S/C12H9BrCl2N2O2S/c1-7-4-12(16-6-9(7)13)17-20(18,19)11-5-8(14)2-3-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeySHFNAWFXTOVOCW-UHFFFAOYSA-N
MW396.09 g/mol
LogP4.26
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide (PubChem CID 79729132) has the molecular formula C12H9BrCl2N2O2S and a molecular weight of 396.09 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
PubChem CID79729132
Molecular FormulaC12H9BrCl2N2O2S
Molecular Weight396.09 g/mol
Exact Mass393.89
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ncc1Br
InChIInChI=1S/C12H9BrCl2N2O2S/c1-7-4-12(16-6-9(7)13)17-20(18,19)11-5-8(14)2-3-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeySHFNAWFXTOVOCW-UHFFFAOYSA-N
XLogP4.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.09
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 106070860
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 717534
N-(5-bromo-4-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79736142
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 115910815
5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 79736645

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide (CID 79729132) is N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is SHFNAWFXTOVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2S/c1-7-4-12(16-6-9(7)13)17-20(18,19)11-5-8(14)2-3-10(11)15/h2-6H,1H3,(H,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 396.09 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 79729132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).