N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide

C14H17FN2O2S2 — CID 16932724

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccccc1F)c1ccsc1
InChIInChI=1S/C14H17FN2O2S2/c1-17(2)13(11-7-8-20-10-11)9-16-21(18,19)14-6-4-3-5-12(14)15/h3-8,10,13,16H,9H2,1-2H3
InChIKeyJYZMNTDLIYPOBM-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.47
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide (PubChem CID 16932724) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
PubChem CID16932724
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccccc1F)c1ccsc1
InChIInChI=1S/C14H17FN2O2S2/c1-17(2)13(11-7-8-20-10-11)9-16-21(18,19)14-6-4-3-5-12(14)15/h3-8,10,13,16H,9H2,1-2H3
InChIKeyJYZMNTDLIYPOBM-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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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
CID 40860733
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
CID 40860728
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 7497838
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-phenylbenzenesulfonamide
CID 16932794
4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 47031514
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 40860865
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 16932771
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 40860290

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide (CID 16932724) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide is CN(C)C(CNS(=O)(=O)c1ccccc1F)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide?
The InChIKey is JYZMNTDLIYPOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-17(2)13(11-7-8-20-10-11)9-16-21(18,19)14-6-4-3-5-12(14)15/h3-8,10,13,16H,9H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-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-3-ylethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 16932724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).