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

C12H13F6N3O2S — CID 147257459

IUPACN'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1ccccc1)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F6N3O2S/c1-8(19-10(2,11(13,14)15)12(16,17)18)20-21-24(22,23)9-6-4-3-5-7-9/h3-7,19-21H,1H2,2H3
InChIKeyCNXCCONUEFDYSB-UHFFFAOYSA-N
MW377.31 g/mol
LogP2.41
Rot. Bonds6

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

N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide (PubChem CID 147257459) has the molecular formula C12H13F6N3O2S and a molecular weight of 377.31 g/mol. Its IUPAC name is N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide
PubChem CID147257459
Molecular FormulaC12H13F6N3O2S
Molecular Weight377.31 g/mol
Exact Mass377.06
IUPAC NameN'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide
SMILESC=C(NNS(=O)(=O)c1ccccc1)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F6N3O2S/c1-8(19-10(2,11(13,14)15)12(16,17)18)20-21-24(22,23)9-6-4-3-5-7-9/h3-7,19-21H,1H2,2H3
InChIKeyCNXCCONUEFDYSB-UHFFFAOYSA-N
XLogP2.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-3-(trifluoromethyl)benzenesulfonohydrazide
CID 162590489
2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide
CID 162603750
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[(3-methylphenyl)sulfonylamino]urea
CID 11646849
2-amino-N'-(benzenesulfonyl)-2-methylpropanehydrazide
CID 67519869
1-[(2,6-difluorophenyl)sulfonylamino]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 11718604
N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine
CID 88569191
N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide
CID 126369506
1-(benzenesulfonamido)-3-(2-methylprop-2-enyl)thiourea
CID 5223896
1-(benzenesulfonamido)-3-propan-2-ylurea
CID 47173657
N'-[1-(1H-pyrrol-2-yl)ethenyl]benzenesulfonohydrazide
CID 2692695
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide?
The IUPAC name of N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide (CID 147257459) is N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide.
What is the SMILES notation for N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide?
The canonical SMILES for N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide is C=C(NNS(=O)(=O)c1ccccc1)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide?
The InChIKey is CNXCCONUEFDYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6N3O2S/c1-8(19-10(2,11(13,14)15)12(16,17)18)20-21-24(22,23)9-6-4-3-5-7-9/h3-7,19-21H,1H2,2H3.
What are the key properties of N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide?
N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide has a molecular weight of 377.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide is sourced from PubChem (CID 147257459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).