N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide

C12H15FN2O2S — CID 167780707

IUPACN-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide
SMILESCCN(C(C)C#N)S(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C12H15FN2O2S/c1-4-15(10(3)8-14)18(16,17)12-6-5-9(2)7-11(12)13/h5-7,10H,4H2,1-3H3
InChIKeyGIEDAGKNMHXYCD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.06
Rot. Bonds4

About N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide

N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide (PubChem CID 167780707) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide
PubChem CID167780707
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC NameN-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide
SMILESCCN(C(C)C#N)S(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C12H15FN2O2S/c1-4-15(10(3)8-14)18(16,17)12-6-5-9(2)7-11(12)13/h5-7,10H,4H2,1-3H3
InChIKeyGIEDAGKNMHXYCD-UHFFFAOYSA-N
XLogP2.06
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633
5-bromo-N-(1-cyanoethyl)-N-ethyl-2-methoxybenzenesulfonamide
CID 167978214
3-[ethyl-(2-fluoro-5-methylphenyl)sulfonylamino]butanoic acid
CID 62826714
2-amino-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61138586
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-N-ethyl-4-methylbenzenesulfonamide
CID 60845550
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]butanoic acid
CID 62827784
(E)-3-[4-[ethyl(propan-2-yl)sulfamoyl]-3-fluorophenyl]prop-2-enoic acid
CID 116529873
N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide
CID 142470252
propan-2-yl 2-fluoro-4-methylbenzenesulfonate
CID 174600563
N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865
2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 103989310

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide (CID 167780707) is N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide is CCN(C(C)C#N)S(=O)(=O)c1ccc(C)cc1F.
What is the InChIKey of N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide?
The InChIKey is GIEDAGKNMHXYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-4-15(10(3)8-14)18(16,17)12-6-5-9(2)7-11(12)13/h5-7,10H,4H2,1-3H3.
What are the key properties of N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide?
N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide has a molecular weight of 270.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 167780707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).