2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide

C12H17Cl2N3O2S — CID 106074660

IUPAC2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(Cl)cc(CNC2CC2)c1Cl
InChIInChI=1S/C12H17Cl2N3O2S/c1-17(2)16-20(18,19)11-6-9(13)5-8(12(11)14)7-15-10-3-4-10/h5-6,10,15-16H,3-4,7H2,1-2H3
InChIKeyUYLUJPGDBTYWAJ-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.00
Rot. Bonds6

About 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide

2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 106074660) has the molecular formula C12H17Cl2N3O2S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID106074660
Molecular FormulaC12H17Cl2N3O2S
Molecular Weight338.26 g/mol
Exact Mass337.04
IUPAC Name2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(Cl)cc(CNC2CC2)c1Cl
InChIInChI=1S/C12H17Cl2N3O2S/c1-17(2)16-20(18,19)11-6-9(13)5-8(12(11)14)7-15-10-3-4-10/h5-6,10,15-16H,3-4,7H2,1-2H3
InChIKeyUYLUJPGDBTYWAJ-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.00
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

2,5-dichloro-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 106074659
5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
CID 106074932
2,5-dichloro-N-(cyclopentylmethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106027118
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552033
5-chloro-2-methoxy-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 106074909
2,5-dichloro-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076311
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
4-chloro-N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
CID 81457354
1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
N-[(5-chloro-2-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 75431856
4-chloro-3-[(cyclopropylamino)methyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 81451983

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide (CID 106074660) is 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1cc(Cl)cc(CNC2CC2)c1Cl.
What is the InChIKey of 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is UYLUJPGDBTYWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2S/c1-17(2)16-20(18,19)11-6-9(13)5-8(12(11)14)7-15-10-3-4-10/h5-6,10,15-16H,3-4,7H2,1-2H3.
What are the key properties of 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide?
2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 338.26 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 106074660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).