2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide

C12H19Cl2N3O2S — CID 106074659

IUPAC2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
SMILESCC(C)NCc1cc(Cl)cc(S(=O)(=O)NN(C)C)c1Cl
InChIInChI=1S/C12H19Cl2N3O2S/c1-8(2)15-7-9-5-10(13)6-11(12(9)14)20(18,19)16-17(3)4/h5-6,8,15-16H,7H2,1-4H3
InChIKeyGNOWIMFNKYNJAE-UHFFFAOYSA-N
MW340.28 g/mol
LogP2.25
Rot. Bonds6

About 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide

2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide (PubChem CID 106074659) has the molecular formula C12H19Cl2N3O2S and a molecular weight of 340.28 g/mol. Its IUPAC name is 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
PubChem CID106074659
Molecular FormulaC12H19Cl2N3O2S
Molecular Weight340.28 g/mol
Exact Mass339.06
IUPAC Name2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
SMILESCC(C)NCc1cc(Cl)cc(S(=O)(=O)NN(C)C)c1Cl
InChIInChI=1S/C12H19Cl2N3O2S/c1-8(2)15-7-9-5-10(13)6-11(12(9)14)20(18,19)16-17(3)4/h5-6,8,15-16H,7H2,1-4H3
InChIKeyGNOWIMFNKYNJAE-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 52.25
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

5-chloro-2-methoxy-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 106074909
2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide
CID 106074660
5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879348
5-chloro-N-cyclobutyl-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879050
5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879383
2,5-dichloro-3-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079670
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
4-chloro-3-fluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81450479
N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 114141820
2,5-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083377
4-chloro-3-fluoro-N-methyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81458456
2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106027118

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide?
The IUPAC name of 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide (CID 106074659) is 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide.
What is the SMILES notation for 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide?
The canonical SMILES for 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide is CC(C)NCc1cc(Cl)cc(S(=O)(=O)NN(C)C)c1Cl.
What is the InChIKey of 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide?
The InChIKey is GNOWIMFNKYNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O2S/c1-8(2)15-7-9-5-10(13)6-11(12(9)14)20(18,19)16-17(3)4/h5-6,8,15-16H,7H2,1-4H3.
What are the key properties of 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide?
2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide has a molecular weight of 340.28 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide is sourced from PubChem (CID 106074659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).