4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide

C11H14N2O4S — CID 141354301

IUPAC4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)C(N)=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-18(16,17)13-9-5-2-8(3-6-9)4-7-10(14)11(12)15/h2-3,5-6,13H,4,7H2,1H3,(H2,12,15)
InChIKeyBHBXNQJMSQGJME-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.05
Rot. Bonds6

About 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide

4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide (PubChem CID 141354301) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide.

Molecular Properties

Compound Name4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
PubChem CID141354301
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
SMILESCS(=O)(=O)Nc1ccc(CCC(=O)C(N)=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-18(16,17)13-9-5-2-8(3-6-9)4-7-10(14)11(12)15/h2-3,5-6,13H,4,7H2,1H3,(H2,12,15)
InChIKeyBHBXNQJMSQGJME-UHFFFAOYSA-N
XLogP0.05
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide
CID 143892707
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
3-[4-(sulfamoylamino)phenyl]propanoic acid
CID 114959005
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
CID 23316726
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
CID 166429377
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
methyl (2S)-2-amino-3-[4-(methanesulfonamido)phenyl]propanoate
CID 58863518
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide?
The IUPAC name of 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide (CID 141354301) is 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide.
What is the SMILES notation for 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide?
The canonical SMILES for 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide is CS(=O)(=O)Nc1ccc(CCC(=O)C(N)=O)cc1.
What is the InChIKey of 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide?
The InChIKey is BHBXNQJMSQGJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-18(16,17)13-9-5-2-8(3-6-9)4-7-10(14)11(12)15/h2-3,5-6,13H,4,7H2,1H3,(H2,12,15).
What are the key properties of 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide?
4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide has a molecular weight of 270.31 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide is sourced from PubChem (CID 141354301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).