2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide

C13H14ClF6N3O2S — CID 162603750

IUPAC2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1c(C)cccc1Cl)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H14ClF6N3O2S/c1-7-5-4-6-9(14)10(7)26(24,25)23-22-8(2)21-11(3,12(15,16)17)13(18,19)20/h4-6,21-23H,2H2,1,3H3
InChIKeyRRCJGNQFAMVLQZ-UHFFFAOYSA-N
MW425.78 g/mol
LogP3.38
Rot. Bonds6

About 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide

2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide (PubChem CID 162603750) has the molecular formula C13H14ClF6N3O2S and a molecular weight of 425.78 g/mol. Its IUPAC name is 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide
PubChem CID162603750
Molecular FormulaC13H14ClF6N3O2S
Molecular Weight425.78 g/mol
Exact Mass425.04
IUPAC Name2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1c(C)cccc1Cl)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H14ClF6N3O2S/c1-7-5-4-6-9(14)10(7)26(24,25)23-22-8(2)21-11(3,12(15,16)17)13(18,19)20/h4-6,21-23H,2H2,1,3H3
InChIKeyRRCJGNQFAMVLQZ-UHFFFAOYSA-N
XLogP3.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.78
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide?
The IUPAC name of 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide (CID 162603750) is 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide.
What is the SMILES notation for 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide?
The canonical SMILES for 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide is C=C(NNS(=O)(=O)c1c(C)cccc1Cl)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide?
The InChIKey is RRCJGNQFAMVLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF6N3O2S/c1-7-5-4-6-9(14)10(7)26(24,25)23-22-8(2)21-11(3,12(15,16)17)13(18,19)20/h4-6,21-23H,2H2,1,3H3.
What are the key properties of 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide?
2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide has a molecular weight of 425.78 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide is sourced from PubChem (CID 162603750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).