(E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide

C8H16FNO2S — CID 130218574

IUPAC(E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide
SMILESCCC(NS(=O)(=O)/C=C/F)C(C)C
InChIInChI=1S/C8H16FNO2S/c1-4-8(7(2)3)10-13(11,12)6-5-9/h5-8,10H,4H2,1-3H3/b6-5+
InChIKeyXPAPKTGMSSUBIY-AATRIKPKSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds5

About (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide

(E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide (PubChem CID 130218574) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide
PubChem CID130218574
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name(E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide
SMILESCCC(NS(=O)(=O)/C=C/F)C(C)C
InChIInChI=1S/C8H16FNO2S/c1-4-8(7(2)3)10-13(11,12)6-5-9/h5-8,10H,4H2,1-3H3/b6-5+
InChIKeyXPAPKTGMSSUBIY-AATRIKPKSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-propan-2-ylpentane-1-sulfonamide
CID 121353242
N-(3-methylbutan-2-yl)ethenesulfonamide
CID 134386253
(E)-N-[(2S)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide
CID 167077129
(E)-N-[(2R)-3-methylbutan-2-yl]prop-1-ene-1-sulfonamide
CID 167077233
4-methyl-N-propan-2-ylpentane-2-sulfonamide
CID 167288558
N-(2-methylpentan-3-yl)ethanesulfonamide
CID 61481397
N-(2-methylpentan-3-yl)propane-2-sulfonamide
CID 61481421
N-(2-methylpentan-3-yl)propane-1-sulfonamide
CID 61481422
N-(2,4-dimethylpentan-3-yl)pentane-1-sulfonamide
CID 121012599
N-(1-cyclopropylpropyl)ethenesulfonamide
CID 167783015

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide?
The IUPAC name of (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide (CID 130218574) is (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide.
What is the SMILES notation for (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide?
The canonical SMILES for (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide is CCC(NS(=O)(=O)/C=C/F)C(C)C.
What is the InChIKey of (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide?
The InChIKey is XPAPKTGMSSUBIY-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-4-8(7(2)3)10-13(11,12)6-5-9/h5-8,10H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide?
(E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide has a molecular weight of 209.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-(2-methylpentan-3-yl)ethenesulfonamide is sourced from PubChem (CID 130218574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).