1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide

C12H15Cl2NO3S — CID 27245579

IUPAC1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H]1CCCO1
InChIInChI=1S/C12H15Cl2NO3S/c13-11-4-1-5-12(14)10(11)8-19(16,17)15-7-9-3-2-6-18-9/h1,4-5,9,15H,2-3,6-8H2/t9-/m0/s1
InChIKeyLMAZDRJVRZBTIM-VIFPVBQESA-N
MW324.23 g/mol
LogP2.59
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide

1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide (PubChem CID 27245579) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
PubChem CID27245579
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H]1CCCO1
InChIInChI=1S/C12H15Cl2NO3S/c13-11-4-1-5-12(14)10(11)8-19(16,17)15-7-9-3-2-6-18-9/h1,4-5,9,15H,2-3,6-8H2/t9-/m0/s1
InChIKeyLMAZDRJVRZBTIM-VIFPVBQESA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide
CID 97076546
1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 63665339
1-(4-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27210861
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46522344
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3158279
3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 31481223

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide (CID 27245579) is 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide is O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H]1CCCO1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide?
The InChIKey is LMAZDRJVRZBTIM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c13-11-4-1-5-12(14)10(11)8-19(16,17)15-7-9-3-2-6-18-9/h1,4-5,9,15H,2-3,6-8H2/t9-/m0/s1.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide?
1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide has a molecular weight of 324.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 27245579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).