2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide

C11H16N2O3S — CID 61368602

IUPAC2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(11(14)13(2)3)17(15,16)10-6-4-9(12)5-7-10/h4-8H,12H2,1-3H3
InChIKeyZFCXJMSZEVEHHG-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.52
Rot. Bonds3

About 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide

2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide (PubChem CID 61368602) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide
PubChem CID61368602
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(11(14)13(2)3)17(15,16)10-6-4-9(12)5-7-10/h4-8H,12H2,1-3H3
InChIKeyZFCXJMSZEVEHHG-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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

2-(4-aminophenyl)sulfonyl-N-ethylpropanamide
CID 61366686
2-(4-aminophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 61369164
N,N-dimethyl-2-(3-nitrophenyl)sulfonylpropanamide
CID 118665816
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide
CID 61367440
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
ethyl 2-(4-methylphenyl)sulfonylpropanoate
CID 10848678
2-[(4-aminophenyl)methylsulfonyl]propanoate
CID 57353313
2-(4-aminophenyl)sulfonyl-3-sulfanylpropanoic acid
CID 57213344
4-(difluoromethylsulfonyl)aniline
CID 825467
(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
CID 95156763
2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide
CID 75466428
[1-(dimethylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60665667

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide (CID 61368602) is 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide is CC(C(=O)N(C)C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide?
The InChIKey is ZFCXJMSZEVEHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(11(14)13(2)3)17(15,16)10-6-4-9(12)5-7-10/h4-8H,12H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide?
2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide has a molecular weight of 256.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide is sourced from PubChem (CID 61368602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).