4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide

C15H17N3O3S2 — CID 59053130

IUPAC4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
SMILESCCCc1cnc(SCC(=O)c2ccc(S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C15H17N3O3S2/c1-2-3-11-8-17-15(18-9-11)22-10-14(19)12-4-6-13(7-5-12)23(16,20)21/h4-9H,2-3,10H2,1H3,(H2,16,20,21)
InChIKeyFNXYUPQYAIGNRB-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.05
Rot. Bonds7

About 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide

4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide (PubChem CID 59053130) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
PubChem CID59053130
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
SMILESCCCc1cnc(SCC(=O)c2ccc(S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C15H17N3O3S2/c1-2-3-11-8-17-15(18-9-11)22-10-14(19)12-4-6-13(7-5-12)23(16,20)21/h4-9H,2-3,10H2,1H3,(H2,16,20,21)
InChIKeyFNXYUPQYAIGNRB-UHFFFAOYSA-N
XLogP2.05
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
The IUPAC name of 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide (CID 59053130) is 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide is CCCc1cnc(SCC(=O)c2ccc(S(N)(=O)=O)cc2)nc1.
What is the InChIKey of 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
The InChIKey is FNXYUPQYAIGNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-2-3-11-8-17-15(18-9-11)22-10-14(19)12-4-6-13(7-5-12)23(16,20)21/h4-9H,2-3,10H2,1H3,(H2,16,20,21).
What are the key properties of 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide has a molecular weight of 351.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide is sourced from PubChem (CID 59053130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).