(1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride

C9H10FNO2S — CID 156630761

IUPAC(1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride
SMILESCc1ccc(S(=O)(=O)C/N=C\F)cc1
InChIInChI=1S/C9H10FNO2S/c1-8-2-4-9(5-3-8)14(12,13)7-11-6-10/h2-6H,7H2,1H3/b11-6-
InChIKeyXLPWEPYHNWJYCR-WDZFZDKYSA-N
MW215.25 g/mol
LogP1.72
Rot. Bonds3

About (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride

(1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride (PubChem CID 156630761) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride.

Molecular Properties

Compound Name(1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride
PubChem CID156630761
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name(1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride
SMILESCc1ccc(S(=O)(=O)C/N=C\F)cc1
InChIInChI=1S/C9H10FNO2S/c1-8-2-4-9(5-3-8)14(12,13)7-11-6-10/h2-6H,7H2,1H3/b11-6-
InChIKeyXLPWEPYHNWJYCR-WDZFZDKYSA-N
XLogP1.72
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Tosylmethyl isocyanide
CID 161915
P-Tolyl vinyl sulfone
CID 79665
p-Tolyl methyl sulfone
CID 18521
p-Toluenesulphonyl cyanide
CID 87946
1-Ethenyl-4-methanesulfonylbenzene
CID 23191629
1-(1-Isocyanoethanesulfonyl)-4-methylbenzene
CID 11052885
1-Isocyanatomethanesulfonyl-4-methylbenzene
CID 11789078
1-(Difluoromethylsulfonyl)-4-methylbenzene
CID 2308715
4-Trifluoromethylphenylmethylsulfone
CID 2760763
(E)-1-Methyl-4-(1-propenylsulphonyl)benzene
CID 5463123
1-(Fluoromethylsulfinyl)-4-methylbenzene
CID 325134
Methyl-methylimino-oxo-[4-(trifluoromethyl)phenyl]-lambda6-sulfane
CID 137638439

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride?
The IUPAC name of (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride (CID 156630761) is (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride.
What is the SMILES notation for (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride?
The canonical SMILES for (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride is Cc1ccc(S(=O)(=O)C/N=C\F)cc1.
What is the InChIKey of (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride?
The InChIKey is XLPWEPYHNWJYCR-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c1-8-2-4-9(5-3-8)14(12,13)7-11-6-10/h2-6H,7H2,1H3/b11-6-.
What are the key properties of (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride?
(1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride has a molecular weight of 215.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-[(4-methylphenyl)sulfonylmethyl]methanimidoyl fluoride is sourced from PubChem (CID 156630761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).