4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide

C12H14N4O2S — CID 43111211

IUPAC4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C12H14N4O2S/c1-9(13)10-3-5-11(6-4-10)19(17,18)16-12-14-7-2-8-15-12/h2-9H,13H2,1H3,(H,14,15,16)
InChIKeyKZKNZDDUWDAHCO-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.30
Rot. Bonds4

About 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide

4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 43111211) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID43111211
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C12H14N4O2S/c1-9(13)10-3-5-11(6-4-10)19(17,18)16-12-14-7-2-8-15-12/h2-9H,13H2,1H3,(H,14,15,16)
InChIKeyKZKNZDDUWDAHCO-UHFFFAOYSA-N
XLogP1.30
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 43095409
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
4-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65488716
4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 43114385
zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)
CID 10010263
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 43099417

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide (CID 43111211) is 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide is CC(N)c1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is KZKNZDDUWDAHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-9(13)10-3-5-11(6-4-10)19(17,18)16-12-14-7-2-8-15-12/h2-9H,13H2,1H3,(H,14,15,16).
What are the key properties of 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide?
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 43111211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).