4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide

C15H19N3O2S2 — CID 3146131

IUPAC4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CSc2ncccn2)cc1
InChIInChI=1S/C15H19N3O2S2/c1-12-5-7-13(8-6-12)22(19,20)18-15(2,3)11-21-14-16-9-4-10-17-14/h4-10,18H,11H2,1-3H3
InChIKeyVWJVQVZIPNLJGK-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.63
Rot. Bonds6

About 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide

4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 3146131) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID3146131
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CSc2ncccn2)cc1
InChIInChI=1S/C15H19N3O2S2/c1-12-5-7-13(8-6-12)22(19,20)18-15(2,3)11-21-14-16-9-4-10-17-14/h4-10,18H,11H2,1-3H3
InChIKeyVWJVQVZIPNLJGK-UHFFFAOYSA-N
XLogP2.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide (CID 3146131) is 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(C)CSc2ncccn2)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is VWJVQVZIPNLJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-12-5-7-13(8-6-12)22(19,20)18-15(2,3)11-21-14-16-9-4-10-17-14/h4-10,18H,11H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide?
4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 337.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3146131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).