5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide

C12H11BrClN3O3S — CID 116798881

IUPAC5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C12H11BrClN3O3S/c1-2-20-9-4-3-8(13)7-10(9)21(18,19)17-11-5-6-15-12(14)16-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyRBMOYSVKLYGUDJ-UHFFFAOYSA-N
MW392.66 g/mol
LogP3.09
Rot. Bonds5

About 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide

5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide (PubChem CID 116798881) has the molecular formula C12H11BrClN3O3S and a molecular weight of 392.66 g/mol. Its IUPAC name is 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
PubChem CID116798881
Molecular FormulaC12H11BrClN3O3S
Molecular Weight392.66 g/mol
Exact Mass390.94
IUPAC Name5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C12H11BrClN3O3S/c1-2-20-9-4-3-8(13)7-10(9)21(18,19)17-11-5-6-15-12(14)16-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyRBMOYSVKLYGUDJ-UHFFFAOYSA-N
XLogP3.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.66
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
CID 116795237
5-bromo-N-(3-chloropyrazin-2-yl)-2-ethoxybenzenesulfonamide
CID 102990126
5-bromo-2-ethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822427
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
5-bromo-2-ethoxy-N-(isoquinolin-1-ylmethyl)benzenesulfonamide
CID 17440973
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
CID 116795242
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide (CID 116798881) is 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide?
The InChIKey is RBMOYSVKLYGUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O3S/c1-2-20-9-4-3-8(13)7-10(9)21(18,19)17-11-5-6-15-12(14)16-11/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide?
5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide has a molecular weight of 392.66 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 116798881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).