N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide

C9H16FNO2S — CID 123850341

IUPACN-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide
SMILESCC=CC(NS(=O)(=O)CCC)=C(C)F
InChIInChI=1S/C9H16FNO2S/c1-4-6-9(8(3)10)11-14(12,13)7-5-2/h4,6,11H,5,7H2,1-3H3
InChIKeyXCGPDXWYXSFEJS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.09
Rot. Bonds5

About N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide

N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide (PubChem CID 123850341) has the molecular formula C9H16FNO2S and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide
PubChem CID123850341
Molecular FormulaC9H16FNO2S
Molecular Weight221.30 g/mol
Exact Mass221.09
IUPAC NameN-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide
SMILESCC=CC(NS(=O)(=O)CCC)=C(C)F
InChIInChI=1S/C9H16FNO2S/c1-4-6-9(8(3)10)11-14(12,13)7-5-2/h4,6,11H,5,7H2,1-3H3
InChIKeyXCGPDXWYXSFEJS-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.09
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-[(2Z,4Z,6E)-4-fluoronona-2,4,6-trien-5-yl]methanesulfonamide
CID 88266989
ethane;1,1,1-trifluoro-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]methanesulfonamide
CID 143371256
N-[(2Z)-4-fluoropenta-2,4-dienyl]propane-1-sulfonamide
CID 169683305
N-[(2E,4Z,6E)-6-fluoro-7-methylnona-2,4,6-trien-3-yl]ethanesulfonamide
CID 173970899
(2Z,4E)-4-aminohexa-2,4-diene-1-sulfonamide
CID 89034900
(2Z,4E)-5-aminohexa-2,4-diene-1-sulfonamide
CID 89125923
(2E,4Z,6E)-6-amino-2-methylocta-2,4,6-triene-1-sulfonamide
CID 89234606
N-penta-1,3-dien-2-ylethanesulfonamide
CID 90943645
N-penta-2,4-dien-2-ylpropane-1-sulfonamide
CID 123696250
(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide
CID 134250636
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide
CID 138617159
(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraene-4-sulfonamide
CID 139472807

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide?
The IUPAC name of N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide (CID 123850341) is N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide is CC=CC(NS(=O)(=O)CCC)=C(C)F.
What is the InChIKey of N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide?
The InChIKey is XCGPDXWYXSFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2S/c1-4-6-9(8(3)10)11-14(12,13)7-5-2/h4,6,11H,5,7H2,1-3H3.
What are the key properties of N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide?
N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide has a molecular weight of 221.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 123850341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).