4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide

C13H16N4O2S — CID 106088618

IUPAC4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNCCCc1ccc(S(=O)(=O)Nc2cncnc2)cc1
InChIInChI=1S/C13H16N4O2S/c14-7-1-2-11-3-5-13(6-4-11)20(18,19)17-12-8-15-10-16-9-12/h3-6,8-10,17H,1-2,7,14H2
InChIKeyLNUKWBUBBWOZST-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.17
Rot. Bonds6

About 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide

4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 106088618) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID106088618
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNCCCc1ccc(S(=O)(=O)Nc2cncnc2)cc1
InChIInChI=1S/C13H16N4O2S/c14-7-1-2-11-3-5-13(6-4-11)20(18,19)17-12-8-15-10-16-9-12/h3-6,8-10,17H,1-2,7,14H2
InChIKeyLNUKWBUBBWOZST-UHFFFAOYSA-N
XLogP1.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033132
4-[3-(methylamino)propyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088550
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide
CID 106029613
2-[4-(pyrimidin-5-ylsulfamoyl)phenyl]ethanethioamide
CID 107588798
4-(3-aminopropyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081762
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
4-(3-aminopropyl)-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 106017203

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide (CID 106088618) is 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide is NCCCc1ccc(S(=O)(=O)Nc2cncnc2)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is LNUKWBUBBWOZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-7-1-2-11-3-5-13(6-4-11)20(18,19)17-12-8-15-10-16-9-12/h3-6,8-10,17H,1-2,7,14H2.
What are the key properties of 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide?
4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 106088618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).