N-cyclohexa-1,3-dien-1-ylsulfonylformamide

C7H9NO3S — CID 56611102

IUPACN-cyclohexa-1,3-dien-1-ylsulfonylformamide
SMILESO=CNS(=O)(=O)C1=CC=CCC1
InChIInChI=1S/C7H9NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-2,4,6H,3,5H2,(H,8,9)
InChIKeyVLVDNYDMVFAJNM-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.30
Rot. Bonds3

About N-cyclohexa-1,3-dien-1-ylsulfonylformamide

N-cyclohexa-1,3-dien-1-ylsulfonylformamide (PubChem CID 56611102) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-ylsulfonylformamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-ylsulfonylformamide
PubChem CID56611102
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC NameN-cyclohexa-1,3-dien-1-ylsulfonylformamide
SMILESO=CNS(=O)(=O)C1=CC=CCC1
InChIInChI=1S/C7H9NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-2,4,6H,3,5H2,(H,8,9)
InChIKeyVLVDNYDMVFAJNM-UHFFFAOYSA-N
XLogP0.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexa-1,3-dien-1-ylsulfonylformamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-ylsulfonylformamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-ylsulfonylformamide (CID 56611102) is N-cyclohexa-1,3-dien-1-ylsulfonylformamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-ylsulfonylformamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-ylsulfonylformamide is O=CNS(=O)(=O)C1=CC=CCC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-ylsulfonylformamide?
The InChIKey is VLVDNYDMVFAJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-2,4,6H,3,5H2,(H,8,9).
What are the key properties of N-cyclohexa-1,3-dien-1-ylsulfonylformamide?
N-cyclohexa-1,3-dien-1-ylsulfonylformamide has a molecular weight of 187.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-ylsulfonylformamide is sourced from PubChem (CID 56611102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).