N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide

C7H12FNO2S — CID 146320249

IUPACN-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide
SMILESC=C(NS(C)(=O)=O)/C(F)=C\CC
InChIInChI=1S/C7H12FNO2S/c1-4-5-7(8)6(2)9-12(3,10)11/h5,9H,2,4H2,1,3H3/b7-5+
InChIKeySYDLYMXSLPOLOJ-FNORWQNLSA-N
MW193.24 g/mol
LogP1.31
Rot. Bonds4

About N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide

N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide (PubChem CID 146320249) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide
PubChem CID146320249
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC NameN-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide
SMILESC=C(NS(C)(=O)=O)/C(F)=C\CC
InChIInChI=1S/C7H12FNO2S/c1-4-5-7(8)6(2)9-12(3,10)11/h5,9H,2,4H2,1,3H3/b7-5+
InChIKeySYDLYMXSLPOLOJ-FNORWQNLSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.31
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
N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide
CID 91271231
N-cyclohexa-1,5-dien-1-ylmethanesulfonamide
CID 22066340
N-cyclopenta-1,4-dien-1-ylmethanesulfonamide
CID 58571276
N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide
CID 118029939
N-[(3E)-hexa-1,3-dien-3-yl]methanesulfonamide
CID 153646312
N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]methanesulfonamide
CID 178714445

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide?
The IUPAC name of N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide (CID 146320249) is N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide?
The canonical SMILES for N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide is C=C(NS(C)(=O)=O)/C(F)=C\CC.
What is the InChIKey of N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide?
The InChIKey is SYDLYMXSLPOLOJ-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12FNO2S/c1-4-5-7(8)6(2)9-12(3,10)11/h5,9H,2,4H2,1,3H3/b7-5+.
What are the key properties of N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide?
N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide has a molecular weight of 193.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide is sourced from PubChem (CID 146320249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).