(2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide

C10H17F2NO2S — CID 162588460

IUPAC(2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide
SMILESCC(C)=C/C=C(\C)S(=O)(=O)NCC(C)(F)F
InChIInChI=1S/C10H17F2NO2S/c1-8(2)5-6-9(3)16(14,15)13-7-10(4,11)12/h5-6,13H,7H2,1-4H3/b9-6+
InChIKeyCCZMGOSPKPTQIT-RMKNXTFCSA-N
MW253.31 g/mol
LogP2.43
Rot. Bonds5

About (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide

(2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide (PubChem CID 162588460) has the molecular formula C10H17F2NO2S and a molecular weight of 253.31 g/mol. Its IUPAC name is (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide.

Molecular Properties

Compound Name(2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide
PubChem CID162588460
Molecular FormulaC10H17F2NO2S
Molecular Weight253.31 g/mol
Exact Mass253.09
IUPAC Name(2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide
SMILESCC(C)=C/C=C(\C)S(=O)(=O)NCC(C)(F)F
InChIInChI=1S/C10H17F2NO2S/c1-8(2)5-6-9(3)16(14,15)13-7-10(4,11)12/h5-6,13H,7H2,1-4H3/b9-6+
InChIKeyCCZMGOSPKPTQIT-RMKNXTFCSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.43
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 (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide?
The IUPAC name of (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide (CID 162588460) is (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide.
What is the SMILES notation for (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide?
The canonical SMILES for (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide is CC(C)=C/C=C(\C)S(=O)(=O)NCC(C)(F)F.
What is the InChIKey of (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide?
The InChIKey is CCZMGOSPKPTQIT-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H17F2NO2S/c1-8(2)5-6-9(3)16(14,15)13-7-10(4,11)12/h5-6,13H,7H2,1-4H3/b9-6+.
What are the key properties of (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide?
(2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide has a molecular weight of 253.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide is sourced from PubChem (CID 162588460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).