N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide

C12H10BrClN2O4S — CID 84563791

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C12H10BrClN2O4S/c1-20-10-3-2-8(14)5-11(10)21(18,19)16-9-4-7(13)6-15-12(9)17/h2-6,16H,1H3,(H,15,17)
InChIKeyIQEAKTBTTSBOKL-UHFFFAOYSA-N
MW393.65 g/mol
LogP2.60
Rot. Bonds4

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 84563791) has the molecular formula C12H10BrClN2O4S and a molecular weight of 393.65 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide
PubChem CID84563791
Molecular FormulaC12H10BrClN2O4S
Molecular Weight393.65 g/mol
Exact Mass391.92
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C12H10BrClN2O4S/c1-20-10-3-2-8(14)5-11(10)21(18,19)16-9-4-7(13)6-15-12(9)17/h2-6,16H,1H3,(H,15,17)
InChIKeyIQEAKTBTTSBOKL-UHFFFAOYSA-N
XLogP2.60
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.65
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3518295
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
CID 70601990
CID 70601990
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
CID 172538343
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide (CID 84563791) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is IQEAKTBTTSBOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O4S/c1-20-10-3-2-8(14)5-11(10)21(18,19)16-9-4-7(13)6-15-12(9)17/h2-6,16H,1H3,(H,15,17).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 393.65 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 84563791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).