3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide

C14H15N3O3S2 — CID 72696998

IUPAC3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
SMILESCCc1cnc(SCC(=O)c2cccc(S(N)(=O)=O)c2)nc1
InChIInChI=1S/C14H15N3O3S2/c1-2-10-7-16-14(17-8-10)21-9-13(18)11-4-3-5-12(6-11)22(15,19)20/h3-8H,2,9H2,1H3,(H2,15,19,20)
InChIKeyDCKYAWSZZLXHQF-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.66
Rot. Bonds6

About 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide

3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide (PubChem CID 72696998) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
PubChem CID72696998
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Name3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
SMILESCCc1cnc(SCC(=O)c2cccc(S(N)(=O)=O)c2)nc1
InChIInChI=1S/C14H15N3O3S2/c1-2-10-7-16-14(17-8-10)21-9-13(18)11-4-3-5-12(6-11)22(15,19)20/h3-8H,2,9H2,1H3,(H2,15,19,20)
InChIKeyDCKYAWSZZLXHQF-UHFFFAOYSA-N
XLogP1.66
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(5-ethylpyrimidin-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

Related Compounds

4-[(Pyrimidin-2-Ylsulfanyl)acetyl]benzenesulfonamide
CID 56932123
2-Chloro-4-[(Pyrimidin-2-Ylsulfanyl)acetyl]benzenesulfonamide
CID 71768355
3-[(Pyrimidin-2-Ylsulfanyl)acetyl]benzenesulfonamide
CID 71768357
2-Chloro-5-{[(5-Ethylpyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide
CID 56932121
4-{[(5-Butylpyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide
CID 56932120
4-{[(4,6-Dimethylpyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide
CID 56932122
2-Chloro-5-[2-(5-propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
CID 59052999
5-[2-(5-Butylpyrimidin-2-yl)sulfanylacetyl]-2-chlorobenzenesulfonamide
CID 59053000
2-Chloro-5-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide
CID 59053001
4-Amino-2-(2-oxo-2-phenyl-ethylsulfanyl)-pyrimidine-5-carbonitrile
CID 648683
4-[2-(5-Ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
CID 59053129
4-[2-(5-Propylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
CID 59053130

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
The IUPAC name of 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide (CID 72696998) is 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
The canonical SMILES for 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide is CCc1cnc(SCC(=O)c2cccc(S(N)(=O)=O)c2)nc1.
What is the InChIKey of 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
The InChIKey is DCKYAWSZZLXHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-2-10-7-16-14(17-8-10)21-9-13(18)11-4-3-5-12(6-11)22(15,19)20/h3-8H,2,9H2,1H3,(H2,15,19,20).
What are the key properties of 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide?
3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide has a molecular weight of 337.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide is sourced from PubChem (CID 72696998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).