2-(4-amino-3-methylphenyl)sulfonylbutanamide

C11H16N2O3S — CID 81182268

IUPAC2-(4-amino-3-methylphenyl)sulfonylbutanamide
SMILESCCC(C(N)=O)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C11H16N2O3S/c1-3-10(11(13)14)17(15,16)8-4-5-9(12)7(2)6-8/h4-6,10H,3,12H2,1-2H3,(H2,13,14)
InChIKeyNGVYNSGUKARSIG-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.61
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfonylbutanamide

2-(4-amino-3-methylphenyl)sulfonylbutanamide (PubChem CID 81182268) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfonylbutanamide
PubChem CID81182268
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(4-amino-3-methylphenyl)sulfonylbutanamide
SMILESCCC(C(N)=O)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C11H16N2O3S/c1-3-10(11(13)14)17(15,16)8-4-5-9(12)7(2)6-8/h4-6,10H,3,12H2,1-2H3,(H2,13,14)
InChIKeyNGVYNSGUKARSIG-UHFFFAOYSA-N
XLogP0.61
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.61
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

2-(4-fluorophenyl)sulfonylbutanamide
CID 64717963
2-methyl-4-pentan-2-ylsulfonylaniline
CID 107889539
2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343811
2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81185373
2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81185850
N-(4-amino-3-methylphenyl)sulfonylpropanamide
CID 23596867
2-(4-amino-3-methylphenyl)sulfonylpropanenitrile
CID 81182427
4-(2-ethylsulfonylethylsulfonyl)-2-methylaniline
CID 81181679
2-methyl-4-(2-methylpropylsulfonyl)aniline
CID 81182256
ethyl 2-(3,4-difluorophenyl)sulfonylbutanoate
CID 64662683
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
2-(4-amino-3-methylphenyl)sulfonyl-N,N-dimethylacetamide
CID 81182333

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfonylbutanamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfonylbutanamide (CID 81182268) is 2-(4-amino-3-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfonylbutanamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfonylbutanamide is CCC(C(N)=O)S(=O)(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfonylbutanamide?
The InChIKey is NGVYNSGUKARSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-10(11(13)14)17(15,16)8-4-5-9(12)7(2)6-8/h4-6,10H,3,12H2,1-2H3,(H2,13,14).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfonylbutanamide?
2-(4-amino-3-methylphenyl)sulfonylbutanamide has a molecular weight of 256.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 81182268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).