N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

C13H14Cl2N2O2S2 — CID 106066930

IUPACN-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O2S2/c1-8-7-20-11(6-16-2)13(8)21(18,19)17-12-9(14)4-3-5-10(12)15/h3-5,7,16-17H,6H2,1-2H3
InChIKeyWXVFGEPKXHMTEX-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.88
Rot. Bonds5

About N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106066930) has the molecular formula C13H14Cl2N2O2S2 and a molecular weight of 365.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106066930
Molecular FormulaC13H14Cl2N2O2S2
Molecular Weight365.31 g/mol
Exact Mass363.99
IUPAC NameN-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O2S2/c1-8-7-20-11(6-16-2)13(8)21(18,19)17-12-9(14)4-3-5-10(12)15/h3-5,7,16-17H,6H2,1-2H3
InChIKeyWXVFGEPKXHMTEX-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
N-(2,4-dibromophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106003290
N-(2,5-dibromophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106007060
N-[(3-bromophenyl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106018690
4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 114138798
4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106065592
2-(ethylaminomethyl)-N-(3-fluorophenyl)-4-methylthiophene-3-sulfonamide
CID 106060584
2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086860
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
CID 102751909
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 102754325

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106066930) is N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is WXVFGEPKXHMTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S2/c1-8-7-20-11(6-16-2)13(8)21(18,19)17-12-9(14)4-3-5-10(12)15/h3-5,7,16-17H,6H2,1-2H3.
What are the key properties of N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 365.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106066930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).