N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide

C11H14N2O3S — CID 8281

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IUPACN-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14)
InChIKeyXRVJPLDTMUSSDE-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.04
Rot. Bonds3

About N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide

N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide (PubChem CID 8281) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide
PubChem CID8281
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14)
InChIKeyXRVJPLDTMUSSDE-UHFFFAOYSA-N
XLogP1.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Sulfanilamide
CID 5333
Sulfacetamide
CID 5320
Asulam
CID 18752
N4-Acetylsulfanilamide
CID 8482
Sulfacarbamide
CID 11033
Asulam-sodium
CID 13389335
Sulfacetamide Sodium
CID 6419954
Sulfabenz
CID 31390
Sodium Sulfacetamide
CID 4022878
4-Amino-N-hydroxybenzenesulfonamide
CID 240910
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
4-amino-N-methylbenzene-1-sulfonamide
CID 74368

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide?
The IUPAC name of N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide (CID 8281) is N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide.
What is the SMILES notation for N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide?
The canonical SMILES for N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide is CC(C)=CC(=O)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide?
The InChIKey is XRVJPLDTMUSSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14).
What are the key properties of N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide?
N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide has a molecular weight of 254.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide is sourced from PubChem (CID 8281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).