2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide

C13H14Cl2N2O2S2 — CID 106078990

IUPAC2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)c2c(C)csc2CN)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2S2/c1-7-3-10(15)11(4-9(7)14)17-21(18,19)13-8(2)6-20-12(13)5-16/h3-4,6,17H,5,16H2,1-2H3
InChIKeyVKIRWFJWKJOXMR-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.93
Rot. Bonds4

About 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106078990) has the molecular formula C13H14Cl2N2O2S2 and a molecular weight of 365.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide
PubChem CID106078990
Molecular FormulaC13H14Cl2N2O2S2
Molecular Weight365.31 g/mol
Exact Mass363.99
IUPAC Name2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)c2c(C)csc2CN)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2S2/c1-7-3-10(15)11(4-9(7)14)17-21(18,19)13-8(2)6-20-12(13)5-16/h3-4,6,17H,5,16H2,1-2H3
InChIKeyVKIRWFJWKJOXMR-UHFFFAOYSA-N
XLogP3.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-4-methylthiophene-3-sulfonamide
CID 106031154
2-(aminomethyl)-4-methyl-N-(2,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056068
2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056298
5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731
2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071250
2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106012185
2-(aminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086886
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106086480
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 104725769

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide (CID 106078990) is 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide is Cc1cc(Cl)c(NS(=O)(=O)c2c(C)csc2CN)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is VKIRWFJWKJOXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S2/c1-7-3-10(15)11(4-9(7)14)17-21(18,19)13-8(2)6-20-12(13)5-16/h3-4,6,17H,5,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 365.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106078990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).