3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide

C13H13N3O3S — CID 3163450

IUPAC3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ncccn1
InChIInChI=1S/C13H13N3O3S/c17-12(16-13-14-8-4-9-15-13)7-10-20(18,19)11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H,14,15,16,17)
InChIKeyQXKLOZZQAZICPS-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.28
Rot. Bonds5

About 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide

3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide (PubChem CID 3163450) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
PubChem CID3163450
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ncccn1
InChIInChI=1S/C13H13N3O3S/c17-12(16-13-14-8-4-9-15-13)7-10-20(18,19)11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H,14,15,16,17)
InChIKeyQXKLOZZQAZICPS-UHFFFAOYSA-N
XLogP1.28
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)sulfonyl-N-pyrimidin-2-ylpropanamide
CID 110673977
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63820393
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide
CID 91780050
3-(benzenesulfonyl)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]propan-1-one
CID 121187360
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290
3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide
CID 7615443
3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
CID 17310101
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide (CID 3163450) is 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ncccn1.
What is the InChIKey of 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide?
The InChIKey is QXKLOZZQAZICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-12(16-13-14-8-4-9-15-13)7-10-20(18,19)11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H,14,15,16,17).
What are the key properties of 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide?
3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide has a molecular weight of 291.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 3163450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).