2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride

C9H13F2NO2S2 — CID 135209814

IUPAC2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCN(CCF)Cc1cccs1
InChIInChI=1S/C9H13F2NO2S2/c10-3-4-12(5-7-16(11,13)14)8-9-2-1-6-15-9/h1-2,6H,3-5,7-8H2
InChIKeyXWYPKAWBJBANJC-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.82
Rot. Bonds7

About 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride

2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride (PubChem CID 135209814) has the molecular formula C9H13F2NO2S2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride
PubChem CID135209814
Molecular FormulaC9H13F2NO2S2
Molecular Weight269.34 g/mol
Exact Mass269.04
IUPAC Name2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCN(CCF)Cc1cccs1
InChIInChI=1S/C9H13F2NO2S2/c10-3-4-12(5-7-16(11,13)14)8-9-2-1-6-15-9/h1-2,6H,3-5,7-8H2
InChIKeyXWYPKAWBJBANJC-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2813027
N-(2-cyanoethyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519187
N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 2531261
N-(2-cyanoethyl)-3-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 145983207
4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
N-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
CID 45822219
N,N-bis(thiophen-2-ylmethyl)methanesulfonamide
CID 53519530
N-cyclopropyl-N-[(thiophen-2-yl)methyl]methanesulfonamide
CID 60745829
1-(Ethylsulfonyl)-4-(2-thienylmethyl)piperazine
CID 770545
N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide
CID 60700287
N-ethyl-N-(2-thienylmethyl)ethanamine hydrochloride
CID 69380552
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 40010371

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride?
The IUPAC name of 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride (CID 135209814) is 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride?
The canonical SMILES for 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride is O=S(=O)(F)CCN(CCF)Cc1cccs1.
What is the InChIKey of 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride?
The InChIKey is XWYPKAWBJBANJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2S2/c10-3-4-12(5-7-16(11,13)14)8-9-2-1-6-15-9/h1-2,6H,3-5,7-8H2.
What are the key properties of 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride?
2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride has a molecular weight of 269.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride is sourced from PubChem (CID 135209814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).