4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide

C12H14N4O2S — CID 107588980

IUPAC4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2cncnc2)cc1
InChIInChI=1S/C12H14N4O2S/c1-9(13)10-2-4-12(5-3-10)19(17,18)16-11-6-14-8-15-7-11/h2-9,16H,13H2,1H3
InChIKeyOATPWFLWPPPFTD-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.30
Rot. Bonds4

About 4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide

4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107588980) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107588980
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2cncnc2)cc1
InChIInChI=1S/C12H14N4O2S/c1-9(13)10-2-4-12(5-3-10)19(17,18)16-11-6-14-8-15-7-11/h2-9,16H,13H2,1H3
InChIKeyOATPWFLWPPPFTD-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-(3,4-dimethylphenyl)benzenesulfonamide
CID 43111564
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937351
4-(1-aminoethyl)-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79044635
3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588975
4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 43114385
4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088618
2-[4-(pyrimidin-5-ylsulfamoyl)phenyl]ethanethioamide
CID 107588798
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide
CID 43102631

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide (CID 107588980) is 4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide is CC(N)c1ccc(S(=O)(=O)Nc2cncnc2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is OATPWFLWPPPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-9(13)10-2-4-12(5-3-10)19(17,18)16-11-6-14-8-15-7-11/h2-9,16H,13H2,1H3.
What are the key properties of 4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide?
4-(1-aminoethyl)-N-pyrimidin-5-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-5-ylbenzenesulfonamide is sourced from PubChem (CID 107588980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).