2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide

C13H20Cl2N2O2S2 — CID 106083183

IUPAC2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1ccc(Cl)c(CNC)c1Cl
InChIInChI=1S/C13H20Cl2N2O2S2/c1-4-20-8-9(2)17-21(18,19)12-6-5-11(14)10(7-16-3)13(12)15/h5-6,9,16-17H,4,7-8H2,1-3H3
InChIKeyOGFJWAHJIFLFFF-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.13
Rot. Bonds8

About 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide

2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106083183) has the molecular formula C13H20Cl2N2O2S2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106083183
Molecular FormulaC13H20Cl2N2O2S2
Molecular Weight371.36 g/mol
Exact Mass370.03
IUPAC Name2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1ccc(Cl)c(CNC)c1Cl
InChIInChI=1S/C13H20Cl2N2O2S2/c1-4-20-8-9(2)17-21(18,19)12-6-5-11(14)10(7-16-3)13(12)15/h5-6,9,16-17H,4,7-8H2,1-3H3
InChIKeyOGFJWAHJIFLFFF-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083225
2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-5-(methylaminomethyl)benzenesulfonamide
CID 106083219
2,5-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083377
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
N-(1-ethylsulfanylpropan-2-yl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083228
2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077414
2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071850
2-chloro-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079618
2,4-dichloro-3-(methylaminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066154
3-chloro-4-(ethylaminomethyl)-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 106083430
2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 115662781
4-(chloromethyl)-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 114279792

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide (CID 106083183) is 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide is CCSCC(C)NS(=O)(=O)c1ccc(Cl)c(CNC)c1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is OGFJWAHJIFLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S2/c1-4-20-8-9(2)17-21(18,19)12-6-5-11(14)10(7-16-3)13(12)15/h5-6,9,16-17H,4,7-8H2,1-3H3.
What are the key properties of 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide?
2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 371.36 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106083183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).