4-amino-N,N-dimethyl-3-methylsulfonylbenzamide

C10H14N2O3S — CID 63360505

IUPAC4-amino-N,N-dimethyl-3-methylsulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(S(C)(=O)=O)c1
InChIInChI=1S/C10H14N2O3S/c1-12(2)10(13)7-4-5-8(11)9(6-7)16(3,14)15/h4-6H,11H2,1-3H3
InChIKeyPIULXYOKSCJMPZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.37
Rot. Bonds2

About 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide

4-amino-N,N-dimethyl-3-methylsulfonylbenzamide (PubChem CID 63360505) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-methylsulfonylbenzamide
PubChem CID63360505
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-amino-N,N-dimethyl-3-methylsulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(S(C)(=O)=O)c1
InChIInChI=1S/C10H14N2O3S/c1-12(2)10(13)7-4-5-8(11)9(6-7)16(3,14)15/h4-6H,11H2,1-3H3
InChIKeyPIULXYOKSCJMPZ-UHFFFAOYSA-N
XLogP0.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526
3-amino-4-tert-butyl-N,N-dimethylbenzamide
CID 19348783
4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
CID 63358733
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
CID 137443191
2-[4-amino-N-(2-hydroxyethyl)-3-methylsulfonylanilino]ethanol
CID 69344978
N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
CID 65374064
(4-amino-3-methylsulfonylphenyl)boronic acid
CID 140871634
4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
CID 63360563
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide (CID 63360505) is 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide is CN(C)C(=O)c1ccc(N)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide?
The InChIKey is PIULXYOKSCJMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-12(2)10(13)7-4-5-8(11)9(6-7)16(3,14)15/h4-6H,11H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide?
4-amino-N,N-dimethyl-3-methylsulfonylbenzamide has a molecular weight of 242.30 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 63360505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).