N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide

C10H12FNO2S — CID 16723470

IUPACN-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
SMILESC=C(F)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12FNO2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,12H,2,7H2,1H3
InChIKeyOYHBRBUASGFCEQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.76
Rot. Bonds4

About N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide

N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide (PubChem CID 16723470) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
PubChem CID16723470
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
SMILESC=C(F)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12FNO2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,12H,2,7H2,1H3
InChIKeyOYHBRBUASGFCEQ-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
CID 24951292
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide
CID 71512775
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 71696139
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
trimethyl-[[(4-methylphenyl)sulfonylamino]methyl]azanium bromide
CID 123816444

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide (CID 16723470) is N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide is C=C(F)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide?
The InChIKey is OYHBRBUASGFCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,12H,2,7H2,1H3.
What are the key properties of N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide?
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide has a molecular weight of 229.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 16723470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).