3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide

C11H16N2O4S — CID 106916938

IUPAC3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C11H16N2O4S/c1-12-11(15)6-7-13(2)18(16,17)10-5-3-4-9(14)8-10/h3-5,8,14H,6-7H2,1-2H3,(H,12,15)
InChIKeyMFOSKQVXNZBVOH-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.15
Rot. Bonds5

About 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide

3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide (PubChem CID 106916938) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide
PubChem CID106916938
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C11H16N2O4S/c1-12-11(15)6-7-13(2)18(16,17)10-5-3-4-9(14)8-10/h3-5,8,14H,6-7H2,1-2H3,(H,12,15)
InChIKeyMFOSKQVXNZBVOH-UHFFFAOYSA-N
XLogP0.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106915583
3-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide
CID 106917715
3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide
CID 106915105
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 103644791
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106914013
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
3-hydroxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 81259126
N-(3-hydroxyphenyl)-3-[methyl(propyl)sulfamoyl]benzamide
CID 27241907
3-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 113230949
4-methyl-3-[methyl-[3-(methylamino)-3-oxopropyl]sulfamoyl]benzoic acid
CID 104654629

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide (CID 106916938) is 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide?
The InChIKey is MFOSKQVXNZBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-12-11(15)6-7-13(2)18(16,17)10-5-3-4-9(14)8-10/h3-5,8,14H,6-7H2,1-2H3,(H,12,15).
What are the key properties of 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide?
3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide has a molecular weight of 272.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106916938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).