N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide

C14H17FN2O2S2 — CID 106059386

IUPACN-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ccccc2F)cs1
InChIInChI=1S/C14H17FN2O2S2/c1-16-9-12-8-13(10-20-12)21(18,19)17-7-6-11-4-2-3-5-14(11)15/h2-5,8,10,16-17H,6-7,9H2,1H3
InChIKeyXYTQLNRZEYIVPV-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.13
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide

N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106059386) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106059386
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ccccc2F)cs1
InChIInChI=1S/C14H17FN2O2S2/c1-16-9-12-8-13(10-20-12)21(18,19)17-7-6-11-4-2-3-5-14(11)15/h2-5,8,10,16-17H,6-7,9H2,1H3
InChIKeyXYTQLNRZEYIVPV-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076088
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
CID 106069519
N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106051741
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055603
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141007
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 110758068

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106059386) is N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCc2ccccc2F)cs1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is XYTQLNRZEYIVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-16-9-12-8-13(10-20-12)21(18,19)17-7-6-11-4-2-3-5-14(11)15/h2-5,8,10,16-17H,6-7,9H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106059386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).