4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide

C11H15ClN2O3S — CID 79858160

IUPAC4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-14(5-6-18(2,16)17)11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6,13H2,1-2H3
InChIKeyYWQAUQQZKKKSPR-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.04
Rot. Bonds4

About 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide

4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 79858160) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID79858160
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-14(5-6-18(2,16)17)11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6,13H2,1-2H3
InChIKeyYWQAUQQZKKKSPR-UHFFFAOYSA-N
XLogP1.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.04
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

4-amino-3-chloro-N-hydroxy-N-methylbenzamide
CID 131124028
4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924767
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641
4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333004
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 78924793
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide (CID 79858160) is 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide is CN(CCS(C)(=O)=O)C(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is YWQAUQQZKKKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-14(5-6-18(2,16)17)11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide?
4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 290.77 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 79858160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).