1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide

C10H15NO4S — CID 165442745

IUPAC1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(OC)cc1OC
InChIInChI=1S/C10H15NO4S/c1-11-16(12,13)7-8-4-5-9(14-2)6-10(8)15-3/h4-6,11H,7H2,1-3H3
InChIKeyGFRWBULCTOQDPW-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.75
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide

1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide (PubChem CID 165442745) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide
PubChem CID165442745
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(OC)cc1OC
InChIInChI=1S/C10H15NO4S/c1-11-16(12,13)7-8-4-5-9(14-2)6-10(8)15-3/h4-6,11H,7H2,1-3H3
InChIKeyGFRWBULCTOQDPW-UHFFFAOYSA-N
XLogP0.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743
2-[(2,4-dimethoxyphenyl)methylsulfonyl]acetic acid
CID 18003792
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
[4-[(2,4-dimethoxyphenyl)methylsulfamoylmethyl]phenyl]methyl methanesulfonate
CID 86705334
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954
N-[(2,4-dimethoxyphenyl)methyl]-2-propylsulfonylethanamine
CID 106723733
2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 22300495
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide (CID 165442745) is 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide?
The InChIKey is GFRWBULCTOQDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-11-16(12,13)7-8-4-5-9(14-2)6-10(8)15-3/h4-6,11H,7H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide?
1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 165442745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).