N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide

C9H14N2O3S — CID 71056827

IUPACN-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCNS(=O)(=O)C1=CC=C(NC(C)=O)CC1
InChIInChI=1S/C9H14N2O3S/c1-7(12)11-8-3-5-9(6-4-8)15(13,14)10-2/h3,5,10H,4,6H2,1-2H3,(H,11,12)
InChIKeyKZYRTUQWUHUAGN-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.23
Rot. Bonds3

About N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide

N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide (PubChem CID 71056827) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide
PubChem CID71056827
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCNS(=O)(=O)C1=CC=C(NC(C)=O)CC1
InChIInChI=1S/C9H14N2O3S/c1-7(12)11-8-3-5-9(6-4-8)15(13,14)10-2/h3,5,10H,4,6H2,1-2H3,(H,11,12)
InChIKeyKZYRTUQWUHUAGN-UHFFFAOYSA-N
XLogP0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide?
The IUPAC name of N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide (CID 71056827) is N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide.
What is the SMILES notation for N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide?
The canonical SMILES for N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide is CNS(=O)(=O)C1=CC=C(NC(C)=O)CC1.
What is the InChIKey of N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide?
The InChIKey is KZYRTUQWUHUAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7(12)11-8-3-5-9(6-4-8)15(13,14)10-2/h3,5,10H,4,6H2,1-2H3,(H,11,12).
What are the key properties of N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide?
N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide has a molecular weight of 230.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide is sourced from PubChem (CID 71056827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).