2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide

C11H16N2O3S — CID 118665805

IUPAC2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O3S/c1-11(2,10(14)13-3)17(15,16)9-6-4-5-8(12)7-9/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyTXOPLGHABWAMEQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.57
Rot. Bonds3

About 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide

2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide (PubChem CID 118665805) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide
PubChem CID118665805
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O3S/c1-11(2,10(14)13-3)17(15,16)9-6-4-5-8(12)7-9/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyTXOPLGHABWAMEQ-UHFFFAOYSA-N
XLogP0.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3-aminophenyl)sulfonylamino]carbamate
CID 59912049
3-(3-aminophenyl)sulfonyl-N-methylpropanamide
CID 81180826
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498666
potassium 3-aminobenzenesulfonate
CID 23716245
3-aminobenzenesulfonic acid;azane
CID 173113808
bis(3-aminobenzenesulfonic acid);sulfane
CID 175800902
4-[(3-aminophenyl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 122126369
3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 16790437
3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline
CID 142730592
tert-butyl N-[(3-aminophenyl)-methyl-oxo-λ6-sulfanylidene]carbamate
CID 169124324
tert-butyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 70153486

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide?
The IUPAC name of 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide (CID 118665805) is 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide is CNC(=O)C(C)(C)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide?
The InChIKey is TXOPLGHABWAMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(2,10(14)13-3)17(15,16)9-6-4-5-8(12)7-9/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide?
2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide has a molecular weight of 256.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide is sourced from PubChem (CID 118665805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).