4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide

C8H14FNO2S — CID 90944446

IUPAC4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide
SMILESCC=C(F)C(=CC)S(=O)(=O)N(C)C
InChIInChI=1S/C8H14FNO2S/c1-5-7(9)8(6-2)13(11,12)10(3)4/h5-6H,1-4H3
InChIKeyNCXZJRZOTHGTQK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.65
Rot. Bonds3

About 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide

4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide (PubChem CID 90944446) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide
PubChem CID90944446
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide
SMILESCC=C(F)C(=CC)S(=O)(=O)N(C)C
InChIInChI=1S/C8H14FNO2S/c1-5-7(9)8(6-2)13(11,12)10(3)4/h5-6H,1-4H3
InChIKeyNCXZJRZOTHGTQK-UHFFFAOYSA-N
XLogP1.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide
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ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate
CID 123281990
N-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]-N-methylformamide
CID 134579310
2-fluoro-N-methylbut-2-enamide
CID 76578732
(2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide
CID 143393015
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
silver;(Z)-2-sulfobut-2-enoic acid
CID 54611580
[(Z)-1-fluoroimino-1-[methyl(methylsulfonyl)amino]but-2-en-2-yl]boronic acid
CID 148811017
ethenyl-methylidene-oxo-[(3E)-penta-1,3-dien-3-yl]-λ6-sulfane
CID 123200149
(E)-3-ethylsulfonylpent-3-en-2-one
CID 59172310
methylsulfonylformyl fluoride
CID 175790736
[methyl(sulfamoyl)amino]methane;hydrochloride
CID 18615116

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide?
The IUPAC name of 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide (CID 90944446) is 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide.
What is the SMILES notation for 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide?
The canonical SMILES for 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide is CC=C(F)C(=CC)S(=O)(=O)N(C)C.
What is the InChIKey of 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide?
The InChIKey is NCXZJRZOTHGTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c1-5-7(9)8(6-2)13(11,12)10(3)4/h5-6H,1-4H3.
What are the key properties of 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide?
4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide has a molecular weight of 207.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethylhexa-2,4-diene-3-sulfonamide is sourced from PubChem (CID 90944446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).