N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H13FN2O2S2 — CID 2813027

IUPACN-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESN#CCCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S2/c15-12-4-6-14(7-5-12)21(18,19)17(9-2-8-16)11-13-3-1-10-20-13/h1,3-7,10H,2,9,11H2
InChIKeyQFQYASIKWDITLP-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.99
Rot. Bonds6

About N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 2813027) has the molecular formula C14H13FN2O2S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID2813027
Molecular FormulaC14H13FN2O2S2
Molecular Weight324.40 g/mol
Exact Mass324.04
IUPAC NameN-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESN#CCCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S2/c15-12-4-6-14(7-5-12)21(18,19)17(9-2-8-16)11-13-3-1-10-20-13/h1,3-7,10H,2,9,11H2
InChIKeyQFQYASIKWDITLP-UHFFFAOYSA-N
XLogP2.99
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 2813027) is N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is N#CCCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is QFQYASIKWDITLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S2/c15-12-4-6-14(7-5-12)21(18,19)17(9-2-8-16)11-13-3-1-10-20-13/h1,3-7,10H,2,9,11H2.
What are the key properties of N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2813027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).