N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

C13H15FN2O2S2 — CID 107429534

IUPACN-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H15FN2O2S2/c1-9-3-4-10(7-11(9)14)16-20(17,18)13-5-6-19-12(13)8-15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyIZDWPQITWHNVDM-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.72
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 107429534) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID107429534
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H15FN2O2S2/c1-9-3-4-10(7-11(9)14)16-20(17,18)13-5-6-19-12(13)8-15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyIZDWPQITWHNVDM-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
CID 106056142
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
N-(5-chloro-2-fluorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030361
N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067026
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106057534
N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055204
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
N-(4-methoxy-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056030
N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085927

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 107429534) is N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is IZDWPQITWHNVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-9-3-4-10(7-11(9)14)16-20(17,18)13-5-6-19-12(13)8-15-2/h3-7,15-16H,8H2,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 107429534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).