1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide

C12H15Cl2NO4S — CID 97076546

IUPAC1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H]1CCOCO1
InChIInChI=1S/C12H15Cl2NO4S/c13-11-2-1-3-12(14)10(11)7-20(16,17)15-6-9-4-5-18-8-19-9/h1-3,9,15H,4-8H2/t9-/m1/s1
InChIKeyWVAZORICLDYCHV-SECBINFHSA-N
MW340.23 g/mol
LogP2.18
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide

1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide (PubChem CID 97076546) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide
PubChem CID97076546
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Name1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H]1CCOCO1
InChIInChI=1S/C12H15Cl2NO4S/c13-11-2-1-3-12(14)10(11)7-20(16,17)15-6-9-4-5-18-8-19-9/h1-3,9,15H,4-8H2/t9-/m1/s1
InChIKeyWVAZORICLDYCHV-SECBINFHSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27245579
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81376970
N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide
CID 97085411
1-(2,6-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973248
2-chloro-N-(1,3-dioxan-4-ylmethyl)-4-methylaniline
CID 81102036
3-chloro-2-(1,3-dioxan-4-ylmethylsulfanyl)aniline
CID 43304493
N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 122150367
1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide
CID 62021688
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-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 119986929
1-[4-(aminomethyl)phenyl]-N-(1,4-dioxan-2-ylmethyl)methanesulfonamide
CID 61023167

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide (CID 97076546) is 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide is O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H]1CCOCO1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide?
The InChIKey is WVAZORICLDYCHV-SECBINFHSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c13-11-2-1-3-12(14)10(11)7-20(16,17)15-6-9-4-5-18-8-19-9/h1-3,9,15H,4-8H2/t9-/m1/s1.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide?
1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide has a molecular weight of 340.23 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[[(4R)-1,3-dioxan-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97076546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).