N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide

C16H16N2O3S — CID 22483846

IUPACN-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H16N2O3S/c1-3-16(19)17-14-6-4-5-7-15(14)22(20,21)18-13-10-8-12(2)9-11-13/h3-11,18H,1H2,2H3,(H,17,19)
InChIKeyHVQWYAQVXRFMNF-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.92
Rot. Bonds5

About N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide

N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 22483846) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID22483846
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H16N2O3S/c1-3-16(19)17-14-6-4-5-7-15(14)22(20,21)18-13-10-8-12(2)9-11-13/h3-11,18H,1H2,2H3,(H,17,19)
InChIKeyHVQWYAQVXRFMNF-UHFFFAOYSA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 58715951
2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483839
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
CID 58715998
N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide
CID 57217486
ethyl 4-[[2-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylamino]benzoate
CID 138617468
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167764718
N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide
CID 10580102
N-[2-[(4-propylphenyl)sulfamoyl]phenyl]propanamide
CID 142971954
N-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 85314407
N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
CID 57096689
2-methyl-N-[2-[(2-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 68803257

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 22483846) is N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is HVQWYAQVXRFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-3-16(19)17-14-6-4-5-7-15(14)22(20,21)18-13-10-8-12(2)9-11-13/h3-11,18H,1H2,2H3,(H,17,19).
What are the key properties of N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide?
N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 316.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 22483846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).