4-(2-aminophenyl)sulfonyl-N-methylbutanamide

C11H16N2O3S — CID 63889973

IUPAC4-(2-aminophenyl)sulfonyl-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H16N2O3S/c1-13-11(14)7-4-8-17(15,16)10-6-3-2-5-9(10)12/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14)
InChIKeyVKFBORWIDDBZMW-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.57
Rot. Bonds5

About 4-(2-aminophenyl)sulfonyl-N-methylbutanamide

4-(2-aminophenyl)sulfonyl-N-methylbutanamide (PubChem CID 63889973) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(2-aminophenyl)sulfonyl-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-aminophenyl)sulfonyl-N-methylbutanamide
PubChem CID63889973
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-(2-aminophenyl)sulfonyl-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H16N2O3S/c1-13-11(14)7-4-8-17(15,16)10-6-3-2-5-9(10)12/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14)
InChIKeyVKFBORWIDDBZMW-UHFFFAOYSA-N
XLogP0.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide
CID 81183828
4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide
CID 81182283
4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
CID 81192660
3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 62627896
2-dodecylsulfonylaniline
CID 19779074
4-(2-aminophenyl)sulfonylbutylphosphonic acid
CID 19044113
2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
2-(2-tert-butylsulfonylethylsulfonyl)aniline
CID 106728928
1-(2-aminophenyl)sulfonyl-3-methylurea
CID 116645969
4-(2-aminophenyl)-N-methylpentanamide
CID 143020696
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
4-(2-hydroxyphenyl)sulfonylbutanoic acid
CID 84704454

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)sulfonyl-N-methylbutanamide?
The IUPAC name of 4-(2-aminophenyl)sulfonyl-N-methylbutanamide (CID 63889973) is 4-(2-aminophenyl)sulfonyl-N-methylbutanamide.
What is the SMILES notation for 4-(2-aminophenyl)sulfonyl-N-methylbutanamide?
The canonical SMILES for 4-(2-aminophenyl)sulfonyl-N-methylbutanamide is CNC(=O)CCCS(=O)(=O)c1ccccc1N.
What is the InChIKey of 4-(2-aminophenyl)sulfonyl-N-methylbutanamide?
The InChIKey is VKFBORWIDDBZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-13-11(14)7-4-8-17(15,16)10-6-3-2-5-9(10)12/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14).
What are the key properties of 4-(2-aminophenyl)sulfonyl-N-methylbutanamide?
4-(2-aminophenyl)sulfonyl-N-methylbutanamide has a molecular weight of 256.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)sulfonyl-N-methylbutanamide is sourced from PubChem (CID 63889973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).