2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C13H16ClNO4S — CID 7999450

IUPAC2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C13H16ClNO4S/c1-20(17,18)10-4-5-12(14)11(7-10)13(16)15-8-9-3-2-6-19-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyFQLYRJNOVLFBAJ-VIFPVBQESA-N
MW317.79 g/mol
LogP1.65
Rot. Bonds4

About 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 7999450) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID7999450
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C13H16ClNO4S/c1-20(17,18)10-4-5-12(14)11(7-10)13(16)15-8-9-3-2-6-19-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyFQLYRJNOVLFBAJ-VIFPVBQESA-N
XLogP1.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 7999450) is 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is FQLYRJNOVLFBAJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-20(17,18)10-4-5-12(14)11(7-10)13(16)15-8-9-3-2-6-19-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 317.79 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 7999450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).