2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide

C11H16N2O3S — CID 81182333

IUPAC2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide
SMILESCc1cc(S(=O)(=O)CC(=O)N(C)C)ccc1N
InChIInChI=1S/C11H16N2O3S/c1-8-6-9(4-5-10(8)12)17(15,16)7-11(14)13(2)3/h4-6H,7,12H2,1-3H3
InChIKeyNLEBBXREGWJLFG-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.44
Rot. Bonds3

About 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide

2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide (PubChem CID 81182333) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide
PubChem CID81182333
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide
SMILESCc1cc(S(=O)(=O)CC(=O)N(C)C)ccc1N
InChIInChI=1S/C11H16N2O3S/c1-8-6-9(4-5-10(8)12)17(15,16)7-11(14)13(2)3/h4-6H,7,12H2,1-3H3
InChIKeyNLEBBXREGWJLFG-UHFFFAOYSA-N
XLogP0.44
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.44
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

3-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylpropanamide
CID 81182424
2-methyl-4-(2-methylpropylsulfonyl)aniline
CID 81182256
4-(2-ethylsulfonylethylsulfonyl)-2-methylaniline
CID 81181679
2-chloro-4-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 107090472
4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline
CID 81182264
4-(2-ethoxyethylsulfonyl)-2-methylaniline
CID 81181513
2-(4-amino-3-chlorophenyl)sulfonyl-N,N-diethylacetamide
CID 81202146
2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide
CID 81202470
4-benzylsulfonyl-2-methylaniline
CID 81182009
N-(4-amino-3-methylphenyl)sulfonylpropanamide
CID 23596867
4-(3-ethoxypropylsulfonyl)-2-methylaniline
CID 81182343
4-[2-(2-methoxyethoxy)ethylsulfonyl]-2-methylaniline
CID 81182090

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide (CID 81182333) is 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide is Cc1cc(S(=O)(=O)CC(=O)N(C)C)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide?
The InChIKey is NLEBBXREGWJLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-6-9(4-5-10(8)12)17(15,16)7-11(14)13(2)3/h4-6H,7,12H2,1-3H3.
What are the key properties of 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide?
2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide has a molecular weight of 256.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide is sourced from PubChem (CID 81182333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).