N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide

C13H14F2N2O2S2 — CID 106055204

IUPACN-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O2S2/c1-16-8-12-13(4-5-20-12)21(18,19)17-7-9-2-3-10(14)6-11(9)15/h2-6,16-17H,7-8H2,1H3
InChIKeyOREQZFPZYULUCU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.22
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide

N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106055204) has the molecular formula C13H14F2N2O2S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106055204
Molecular FormulaC13H14F2N2O2S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O2S2/c1-16-8-12-13(4-5-20-12)21(18,19)17-7-9-2-3-10(14)6-11(9)15/h2-6,16-17H,7-8H2,1H3
InChIKeyOREQZFPZYULUCU-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030361
N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241598
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
CID 115522943
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092583
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62228344
2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753831

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106055204) is N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is OREQZFPZYULUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2S2/c1-16-8-12-13(4-5-20-12)21(18,19)17-7-9-2-3-10(14)6-11(9)15/h2-6,16-17H,7-8H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 332.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106055204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).