N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide

C13H13BrN2O4S — CID 19683207

IUPACN-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(OC)c1
InChIInChI=1S/C13H13BrN2O4S/c1-19-10-4-5-12(11(7-10)20-2)21(17,18)16-13-6-3-9(14)8-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyOHJYYXIUGOSJEA-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.66
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide

N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 19683207) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID19683207
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC NameN-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(OC)c1
InChIInChI=1S/C13H13BrN2O4S/c1-19-10-4-5-12(11(7-10)20-2)21(17,18)16-13-6-3-9(14)8-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyOHJYYXIUGOSJEA-UHFFFAOYSA-N
XLogP2.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
N-[5-(cyclopropylamino)-2-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113023785
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
N-(4-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821777
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010801
N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821363
2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515844
N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010132
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide (CID 19683207) is N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(OC)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is OHJYYXIUGOSJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-19-10-4-5-12(11(7-10)20-2)21(17,18)16-13-6-3-9(14)8-15-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide?
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 373.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 19683207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).