2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide

C13H15BrN4O2S — CID 106071847

IUPAC2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCCNCc1ccc(Br)c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C13H15BrN4O2S/c1-2-15-9-10-4-5-11(14)12(8-10)21(19,20)18-13-16-6-3-7-17-13/h3-8,15H,2,9H2,1H3,(H,16,17,18)
InChIKeyNTKZCMYOVGJKAW-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.15
Rot. Bonds6

About 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide

2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 106071847) has the molecular formula C13H15BrN4O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID106071847
Molecular FormulaC13H15BrN4O2S
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCCNCc1ccc(Br)c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C13H15BrN4O2S/c1-2-15-9-10-4-5-11(14)12(8-10)21(19,20)18-13-16-6-3-7-17-13/h3-8,15H,2,9H2,1H3,(H,16,17,18)
InChIKeyNTKZCMYOVGJKAW-UHFFFAOYSA-N
XLogP2.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058095
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
2-bromo-5-(ethylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081365
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
N-(3-bromo-2-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106062188
2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081796
2-bromo-N-[2-(dimethylamino)ethyl]-5-(propylaminomethyl)benzenesulfonamide
CID 106032753
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
5-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074842
5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081210
2-bromo-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
CID 106079818
4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28828893

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide (CID 106071847) is 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide is CCNCc1ccc(Br)c(S(=O)(=O)Nc2ncccn2)c1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is NTKZCMYOVGJKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S/c1-2-15-9-10-4-5-11(14)12(8-10)21(19,20)18-13-16-6-3-7-17-13/h3-8,15H,2,9H2,1H3,(H,16,17,18).
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106071847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).