(1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide

C11H13FN2O2S — CID 97054576

IUPAC(1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide
SMILESC[C@@H](C#N)S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2S/c1-9(8-13)17(15,16)14-7-6-10-2-4-11(12)5-3-10/h2-5,9,14H,6-7H2,1H3/t9-/m0/s1
InChIKeyHTNBYBQNSKYVLV-VIFPVBQESA-N
MW256.30 g/mol
LogP1.20
Rot. Bonds5

About (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide

(1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide (PubChem CID 97054576) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name(1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide
PubChem CID97054576
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC Name(1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide
SMILESC[C@@H](C#N)S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O2S/c1-9(8-13)17(15,16)14-7-6-10-2-4-11(12)5-3-10/h2-5,9,14H,6-7H2,1H3/t9-/m0/s1
InChIKeyHTNBYBQNSKYVLV-VIFPVBQESA-N
XLogP1.20
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-iodoethyl)ethanesulfonamide
CID 106442112
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
CID 109058149
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide
CID 7518666
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide?
The IUPAC name of (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide (CID 97054576) is (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide?
The canonical SMILES for (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide is C[C@@H](C#N)S(=O)(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide?
The InChIKey is HTNBYBQNSKYVLV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-9(8-13)17(15,16)14-7-6-10-2-4-11(12)5-3-10/h2-5,9,14H,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide?
(1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide has a molecular weight of 256.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 97054576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).