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

C10H17F2NO2S — CID 123865111

IUPACN-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide
SMILESCC(C)=CC=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
InChIKeyCCZMGOSPKPTQIT-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.43
Rot. Bonds5

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

N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide (PubChem CID 123865111) has the molecular formula C10H17F2NO2S and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide
PubChem CID123865111
Molecular FormulaC10H17F2NO2S
Molecular Weight253.31 g/mol
Exact Mass253.09
IUPAC NameN-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide
SMILESCC(C)=CC=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
InChIKeyCCZMGOSPKPTQIT-UHFFFAOYSA-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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Related Compounds

N-[2,2-bis(difluoromethyl)-1,1,3,3,3-pentafluoropropyl]-2,5-dimethylhexa-2,4-diene-3-sulfonamide
CID 88895269
N-(1,1,1-trifluoropropan-2-yl)penta-1,3-diene-3-sulfonamide
CID 91254200
(2E)-N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide
CID 162588460
(2E)-5-methyl-N-propan-2-ylhexa-2,4-diene-2-sulfonamide
CID 141959778

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide?
The IUPAC name of N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide (CID 123865111) is N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide is CC(C)=CC=C(C)S(=O)(=O)NCC(C)(F)F.
What is the InChIKey of N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide?
The InChIKey is CCZMGOSPKPTQIT-UHFFFAOYSA-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.
What are the key properties of N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide?
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 N-(2,2-difluoropropyl)-5-methylhexa-2,4-diene-2-sulfonamide is sourced from PubChem (CID 123865111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).