2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide

C11H17Cl2N3O2S — CID 106074981

IUPAC2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide
SMILESCCNCc1cc(S(=O)(=O)NN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N3O2S/c1-4-14-7-8-5-11(10(13)6-9(8)12)19(17,18)15-16(2)3/h5-6,14-15H,4,7H2,1-3H3
InChIKeyBPISONCPEMJPAD-UHFFFAOYSA-N
MW326.25 g/mol
LogP1.86
Rot. Bonds6

About 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide

2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 106074981) has the molecular formula C11H17Cl2N3O2S and a molecular weight of 326.25 g/mol. Its IUPAC name is 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID106074981
Molecular FormulaC11H17Cl2N3O2S
Molecular Weight326.25 g/mol
Exact Mass325.04
IUPAC Name2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide
SMILESCCNCc1cc(S(=O)(=O)NN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C11H17Cl2N3O2S/c1-4-14-7-8-5-11(10(13)6-9(8)12)19(17,18)15-16(2)3/h5-6,14-15H,4,7H2,1-3H3
InChIKeyBPISONCPEMJPAD-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide
CID 106074785
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
5-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074842
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 165438493
N-tert-butyl-3-chloro-4-(ethylaminomethyl)benzenesulfonamide
CID 107091310
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106017229
2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-5-(methylaminomethyl)benzenesulfonamide
CID 106083219
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
3-chloro-4-(dimethylaminosulfamoyl)benzenecarbothioamide
CID 113370429
3-chloro-4-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107091282
1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide (CID 106074981) is 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide is CCNCc1cc(S(=O)(=O)NN(C)C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is BPISONCPEMJPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O2S/c1-4-14-7-8-5-11(10(13)6-9(8)12)19(17,18)15-16(2)3/h5-6,14-15H,4,7H2,1-3H3.
What are the key properties of 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide?
2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 326.25 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(ethylaminomethyl)-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 106074981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).