2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

C13H20Cl2N2O2S2 — CID 106079670

IUPAC2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)NC(C)CSC)c1Cl
InChIInChI=1S/C13H20Cl2N2O2S2/c1-4-16-7-10-5-11(14)6-12(13(10)15)21(18,19)17-9(2)8-20-3/h5-6,9,16-17H,4,7-8H2,1-3H3
InChIKeyHSIPLTSYXCDEKA-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.13
Rot. Bonds8

About 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 106079670) has the molecular formula C13H20Cl2N2O2S2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID106079670
Molecular FormulaC13H20Cl2N2O2S2
Molecular Weight371.36 g/mol
Exact Mass370.03
IUPAC Name2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCNCc1cc(Cl)cc(S(=O)(=O)NC(C)CSC)c1Cl
InChIInChI=1S/C13H20Cl2N2O2S2/c1-4-16-7-10-5-11(14)6-12(13(10)15)21(18,19)17-9(2)8-20-3/h5-6,9,16-17H,4,7-8H2,1-3H3
InChIKeyHSIPLTSYXCDEKA-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

2,5-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083377
2,5-dichloro-3-(1-methylsulfanylpropan-2-ylsulfamoyl)benzoic acid
CID 104655063
2-ethyl-5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079789
3-(ethylaminomethyl)-4-fluoro-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079573
3-(aminomethyl)-2,5-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054214
3-(aminomethyl)-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzenesulfonamide
CID 106083402
5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885173
5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114142080
3-(aminomethyl)-2,5-dichloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053720
2,5-dichloro-N-(2,2-difluoroethyl)-3-(propylaminomethyl)benzenesulfonamide
CID 115409045
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
5-chloro-3-(ethylaminomethyl)-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059219

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (CID 106079670) is 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is CCNCc1cc(Cl)cc(S(=O)(=O)NC(C)CSC)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is HSIPLTSYXCDEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S2/c1-4-16-7-10-5-11(14)6-12(13(10)15)21(18,19)17-9(2)8-20-3/h5-6,9,16-17H,4,7-8H2,1-3H3.
What are the key properties of 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)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 2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106079670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).