N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide

C9H14N2O3S — CID 142858024

IUPACN-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCC(S(N)(=O)=O)=CCC1
InChIInChI=1S/C9H14N2O3S/c1-7(12)11-8-3-2-4-9(6-5-8)15(10,13)14/h4-5H,2-3,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyUMOWXKJXCLIQDW-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.36
Rot. Bonds2

About N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide

N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide (PubChem CID 142858024) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide
PubChem CID142858024
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCC(S(N)(=O)=O)=CCC1
InChIInChI=1S/C9H14N2O3S/c1-7(12)11-8-3-2-4-9(6-5-8)15(10,13)14/h4-5H,2-3,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyUMOWXKJXCLIQDW-UHFFFAOYSA-N
XLogP0.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide?
The IUPAC name of N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide (CID 142858024) is N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide?
The canonical SMILES for N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide is CC(=O)NC1=CCC(S(N)(=O)=O)=CCC1.
What is the InChIKey of N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide?
The InChIKey is UMOWXKJXCLIQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7(12)11-8-3-2-4-9(6-5-8)15(10,13)14/h4-5H,2-3,6H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide?
N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide has a molecular weight of 230.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide is sourced from PubChem (CID 142858024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).