N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide

C14H17FN2O2S2 — CID 18589433

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H17FN2O2S2/c1-17(2)13(14-4-3-9-20-14)10-16-21(18,19)12-7-5-11(15)6-8-12/h3-9,13,16H,10H2,1-2H3
InChIKeyAZSGBTAIJNZXBW-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.47
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide (PubChem CID 18589433) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
PubChem CID18589433
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H17FN2O2S2/c1-17(2)13(14-4-3-9-20-14)10-16-21(18,19)12-7-5-11(15)6-8-12/h3-9,13,16H,10H2,1-2H3
InChIKeyAZSGBTAIJNZXBW-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide (CID 18589433) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
The InChIKey is AZSGBTAIJNZXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-17(2)13(14-4-3-9-20-14)10-16-21(18,19)12-7-5-11(15)6-8-12/h3-9,13,16H,10H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 18589433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).