2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide

C16H19N3O3S — CID 124964234

IUPAC2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccnc([C@@H]2CCCO2)n1
InChIInChI=1S/C16H19N3O3S/c1-12-5-2-3-7-15(12)23(20,21)18-11-13-8-9-17-16(19-13)14-6-4-10-22-14/h2-3,5,7-9,14,18H,4,6,10-11H2,1H3/t14-/m0/s1
InChIKeyHWFFEDYJMYIYFV-AWEZNQCLSA-N
MW333.41 g/mol
LogP2.12
Rot. Bonds5

About 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide

2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide (PubChem CID 124964234) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide
PubChem CID124964234
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccnc([C@@H]2CCCO2)n1
InChIInChI=1S/C16H19N3O3S/c1-12-5-2-3-7-15(12)23(20,21)18-11-13-8-9-17-16(19-13)14-6-4-10-22-14/h2-3,5,7-9,14,18H,4,6,10-11H2,1H3/t14-/m0/s1
InChIKeyHWFFEDYJMYIYFV-AWEZNQCLSA-N
XLogP2.12
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide (CID 124964234) is 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1ccnc([C@@H]2CCCO2)n1.
What is the InChIKey of 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is HWFFEDYJMYIYFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-5-2-3-7-15(12)23(20,21)18-11-13-8-9-17-16(19-13)14-6-4-10-22-14/h2-3,5,7-9,14,18H,4,6,10-11H2,1H3/t14-/m0/s1.
What are the key properties of 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide?
2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 124964234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).