3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide

C13H16N4O2S — CID 107588975

IUPAC3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)Nc2cncnc2)c1
InChIInChI=1S/C13H16N4O2S/c1-2-13(14)10-4-3-5-12(6-10)20(18,19)17-11-7-15-9-16-8-11/h3-9,13,17H,2,14H2,1H3
InChIKeyBXVOZPGGWRZOBJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.69
Rot. Bonds5

About 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide

3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107588975) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107588975
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)Nc2cncnc2)c1
InChIInChI=1S/C13H16N4O2S/c1-2-13(14)10-4-3-5-12(6-10)20(18,19)17-11-7-15-9-16-8-11/h3-9,13,17H,2,14H2,1H3
InChIKeyBXVOZPGGWRZOBJ-UHFFFAOYSA-N
XLogP1.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60872660
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
3-hydroxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589119
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate
CID 61499264
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
3-(1-aminopropyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60873785

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide (CID 107588975) is 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide is CCC(N)c1cccc(S(=O)(=O)Nc2cncnc2)c1.
What is the InChIKey of 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is BXVOZPGGWRZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-13(14)10-4-3-5-12(6-10)20(18,19)17-11-7-15-9-16-8-11/h3-9,13,17H,2,14H2,1H3.
What are the key properties of 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide?
3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107588975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).