N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide

C11H12N2O3S — CID 107992625

IUPACN-methyl-N-(4-sulfamoylphenyl)but-2-ynamide
SMILESCC#CC(=O)N(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H12N2O3S/c1-3-4-11(14)13(2)9-5-7-10(8-6-9)17(12,15)16/h5-8H,1-2H3,(H2,12,15,16)
InChIKeyHGGPIJHZXVOVEQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.32
Rot. Bonds2

About N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide

N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide (PubChem CID 107992625) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-(4-sulfamoylphenyl)but-2-ynamide
PubChem CID107992625
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC NameN-methyl-N-(4-sulfamoylphenyl)but-2-ynamide
SMILESCC#CC(=O)N(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H12N2O3S/c1-3-4-11(14)13(2)9-5-7-10(8-6-9)17(12,15)16/h5-8H,1-2H3,(H2,12,15,16)
InChIKeyHGGPIJHZXVOVEQ-UHFFFAOYSA-N
XLogP0.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide
CID 146585049
N,4-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 61129425
4-[acetyl(dimethylamino)amino]benzenesulfonamide
CID 174362410
acetamide;4-aminobenzenesulfonamide
CID 175093651
N,6-dimethyl-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
CID 61129781
N-methyl-N-(4-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61130946
4-methoxy-N-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 113382234
N-methyl-N-(4-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 65216023
N-methyl-N-(4-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65215734
N-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 61129416
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
1-cyano-N-(4-ethylsulfonylphenyl)-N-methylformamide
CID 115172048

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide?
The IUPAC name of N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide (CID 107992625) is N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide.
What is the SMILES notation for N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide?
The canonical SMILES for N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide is CC#CC(=O)N(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide?
The InChIKey is HGGPIJHZXVOVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-4-11(14)13(2)9-5-7-10(8-6-9)17(12,15)16/h5-8H,1-2H3,(H2,12,15,16).
What are the key properties of N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide?
N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide has a molecular weight of 252.30 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide is sourced from PubChem (CID 107992625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).