3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide

C12H11N3O3S2 — CID 71768357

IUPAC3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)CSc2ncccn2)c1
InChIInChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-1-3-9(7-10)11(16)8-19-12-14-5-2-6-15-12/h1-7H,8H2,(H2,13,17,18)
InChIKeyBWAZRCOFUQSGBG-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.10
Rot. Bonds5

About 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide

3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide (PubChem CID 71768357) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide
PubChem CID71768357
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC Name3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)CSc2ncccn2)c1
InChIInChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-1-3-9(7-10)11(16)8-19-12-14-5-2-6-15-12/h1-7H,8H2,(H2,13,17,18)
InChIKeyBWAZRCOFUQSGBG-UHFFFAOYSA-N
XLogP1.10
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-pyrimidin-2-ylsulfanylacetyl)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
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
2-Chloro-4-[2-(5-ethylpyrimidin-2-yl)sulfanylacetyl]benzenesulfonamide
CID 72696725

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide?
The IUPAC name of 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide (CID 71768357) is 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide?
The canonical SMILES for 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide is NS(=O)(=O)c1cccc(C(=O)CSc2ncccn2)c1.
What is the InChIKey of 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide?
The InChIKey is BWAZRCOFUQSGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-1-3-9(7-10)11(16)8-19-12-14-5-2-6-15-12/h1-7H,8H2,(H2,13,17,18).
What are the key properties of 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide?
3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide is sourced from PubChem (CID 71768357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).