N-methylhexa-2,4-diene-3-sulfonamide

C7H13NO2S — CID 91462979

IUPACN-methylhexa-2,4-diene-3-sulfonamide
SMILESCC=CC(=CC)S(=O)(=O)NC
InChIInChI=1S/C7H13NO2S/c1-4-6-7(5-2)11(9,10)8-3/h4-6,8H,1-3H3
InChIKeyOKSKOTVWXKDHMB-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.02
Rot. Bonds3

About N-methylhexa-2,4-diene-3-sulfonamide

N-methylhexa-2,4-diene-3-sulfonamide (PubChem CID 91462979) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-methylhexa-2,4-diene-3-sulfonamide.

Molecular Properties

Compound NameN-methylhexa-2,4-diene-3-sulfonamide
PubChem CID91462979
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-methylhexa-2,4-diene-3-sulfonamide
SMILESCC=CC(=CC)S(=O)(=O)NC
InChIInChI=1S/C7H13NO2S/c1-4-6-7(5-2)11(9,10)8-3/h4-6,8H,1-3H3
InChIKeyOKSKOTVWXKDHMB-UHFFFAOYSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylhexa-2,4-diene-3-sulfonamide?
The IUPAC name of N-methylhexa-2,4-diene-3-sulfonamide (CID 91462979) is N-methylhexa-2,4-diene-3-sulfonamide.
What is the SMILES notation for N-methylhexa-2,4-diene-3-sulfonamide?
The canonical SMILES for N-methylhexa-2,4-diene-3-sulfonamide is CC=CC(=CC)S(=O)(=O)NC.
What is the InChIKey of N-methylhexa-2,4-diene-3-sulfonamide?
The InChIKey is OKSKOTVWXKDHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-4-6-7(5-2)11(9,10)8-3/h4-6,8H,1-3H3.
What are the key properties of N-methylhexa-2,4-diene-3-sulfonamide?
N-methylhexa-2,4-diene-3-sulfonamide has a molecular weight of 175.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhexa-2,4-diene-3-sulfonamide is sourced from PubChem (CID 91462979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).