N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide

C10H12FNO2S — CID 122386724

IUPACN-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide
SMILESCN(/C(F)=C/c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12FNO2S/c1-12(15(2,13)14)10(11)8-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+
InChIKeyKQWGTJHLEQDPGU-CSKARUKUSA-N
MW229.28 g/mol
LogP1.85
Rot. Bonds3

About N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide

N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide (PubChem CID 122386724) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide
PubChem CID122386724
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide
SMILESCN(/C(F)=C/c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12FNO2S/c1-12(15(2,13)14)10(11)8-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+
InChIKeyKQWGTJHLEQDPGU-CSKARUKUSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]benzene
CID 134986797
2,2-difluoroethenylbenzene;1,1-difluoroprop-1-ene
CID 90783714
(E)-2-phenyl-1-trimethylsilylethenesulfonyl fluoride
CID 146163020
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363
[(E)-2-fluoro-2-iodoethenyl]benzene
CID 11492511
2-fluoro-3-phenylprop-2-enal
CID 54285949
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
2-methylsulfonyl-3-phenylprop-2-enenitrile
CID 54020495
CID 11750295
CID 11750295
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631
[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfinylethenyl]benzene
CID 68923226

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide (CID 122386724) is N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide is CN(/C(F)=C/c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide?
The InChIKey is KQWGTJHLEQDPGU-CSKARUKUSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-12(15(2,13)14)10(11)8-9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+.
What are the key properties of N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide?
N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide has a molecular weight of 229.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-fluoro-2-phenylethenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 122386724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).