N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide

C13H20ClNO4S — CID 20524766

IUPACN-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide
SMILESCOC(C)(CN(c1c(C)cccc1Cl)S(C)(=O)=O)OC
InChIInChI=1S/C13H20ClNO4S/c1-10-7-6-8-11(14)12(10)15(20(5,16)17)9-13(2,18-3)19-4/h6-8H,9H2,1-5H3
InChIKeyWGYZBADXVXODGL-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.42
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide

N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide (PubChem CID 20524766) has the molecular formula C13H20ClNO4S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide
PubChem CID20524766
Molecular FormulaC13H20ClNO4S
Molecular Weight321.83 g/mol
Exact Mass321.08
IUPAC NameN-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide
SMILESCOC(C)(CN(c1c(C)cccc1Cl)S(C)(=O)=O)OC
InChIInChI=1S/C13H20ClNO4S/c1-10-7-6-8-11(14)12(10)15(20(5,16)17)9-13(2,18-3)19-4/h6-8H,9H2,1-5H3
InChIKeyWGYZBADXVXODGL-UHFFFAOYSA-N
XLogP2.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide (CID 20524766) is N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide is COC(C)(CN(c1c(C)cccc1Cl)S(C)(=O)=O)OC.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide?
The InChIKey is WGYZBADXVXODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO4S/c1-10-7-6-8-11(14)12(10)15(20(5,16)17)9-13(2,18-3)19-4/h6-8H,9H2,1-5H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide?
N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide has a molecular weight of 321.83 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-N-(2,2-dimethoxypropyl)methanesulfonamide is sourced from PubChem (CID 20524766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).