N-but-3-yn-2-yl-3-sulfamoylbenzamide

C11H12N2O3S — CID 114390083

IUPACN-but-3-yn-2-yl-3-sulfamoylbenzamide
SMILESC#CC(C)NC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H12N2O3S/c1-3-8(2)13-11(14)9-5-4-6-10(7-9)17(12,15)16/h1,4-8H,2H3,(H,13,14)(H2,12,15,16)
InChIKeyOAYBYEDYMYAZSZ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.09
Rot. Bonds3

About N-but-3-yn-2-yl-3-sulfamoylbenzamide

N-but-3-yn-2-yl-3-sulfamoylbenzamide (PubChem CID 114390083) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-sulfamoylbenzamide
PubChem CID114390083
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC NameN-but-3-yn-2-yl-3-sulfamoylbenzamide
SMILESC#CC(C)NC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H12N2O3S/c1-3-8(2)13-11(14)9-5-4-6-10(7-9)17(12,15)16/h1,4-8H,2H3,(H,13,14)(H2,12,15,16)
InChIKeyOAYBYEDYMYAZSZ-UHFFFAOYSA-N
XLogP0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-yn-2-yl-2-methyl-4-sulfamoylbenzamide
CID 114418677
N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760
N-but-3-yn-2-yl-3-fluorobenzamide
CID 114389984
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-ethyl-3-sulfamoylbenzamide
CID 43089872
N-(2-prop-2-ynylsulfanylethyl)-3-sulfamoylbenzamide
CID 113240176
N-(3-methoxy-2-methylpropyl)-3-sulfamoylbenzamide
CID 48630521
N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
methyl (2R)-2-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 113257877
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-sulfamoylbenzamide?
The IUPAC name of N-but-3-yn-2-yl-3-sulfamoylbenzamide (CID 114390083) is N-but-3-yn-2-yl-3-sulfamoylbenzamide.
What is the SMILES notation for N-but-3-yn-2-yl-3-sulfamoylbenzamide?
The canonical SMILES for N-but-3-yn-2-yl-3-sulfamoylbenzamide is C#CC(C)NC(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-but-3-yn-2-yl-3-sulfamoylbenzamide?
The InChIKey is OAYBYEDYMYAZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-8(2)13-11(14)9-5-4-6-10(7-9)17(12,15)16/h1,4-8H,2H3,(H,13,14)(H2,12,15,16).
What are the key properties of N-but-3-yn-2-yl-3-sulfamoylbenzamide?
N-but-3-yn-2-yl-3-sulfamoylbenzamide has a molecular weight of 252.30 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-sulfamoylbenzamide is sourced from PubChem (CID 114390083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).