N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide

C21H36N2O3S — CID 2213229

IUPACN'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide
SMILESCCCCCC(=O)NNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C21H36N2O3S/c1-8-9-10-11-20(24)22-23-27(25,26)21-18(15(4)5)12-17(14(2)3)13-19(21)16(6)7/h12-16,23H,8-11H2,1-7H3,(H,22,24)
InChIKeyPYYJWHLBONABPT-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.95
Rot. Bonds10

About N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide

N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide (PubChem CID 2213229) has the molecular formula C21H36N2O3S and a molecular weight of 396.60 g/mol. Its IUPAC name is N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide.

Molecular Properties

Compound NameN'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide
PubChem CID2213229
Molecular FormulaC21H36N2O3S
Molecular Weight396.60 g/mol
Exact Mass396.24
IUPAC NameN'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide
SMILESCCCCCC(=O)NNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C21H36N2O3S/c1-8-9-10-11-20(24)22-23-27(25,26)21-18(15(4)5)12-17(14(2)3)13-19(21)16(6)7/h12-16,23H,8-11H2,1-7H3,(H,22,24)
InChIKeyPYYJWHLBONABPT-UHFFFAOYSA-N
XLogP4.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2,4-di(propan-2-yl)phenyl]hexan-1-one
CID 43338073
1-[2,4-di(propan-2-yl)phenyl]octan-1-one
CID 63492659
N-[2-[4-[acetyl(methyl)amino]anilino]-5-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]phenyl]octanamide
CID 70485684
3-methyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]butanoic acid
CID 25036140
N-(3-chloropropyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3407313
N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 123143002
[5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide
CID 141022839
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
[hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone
CID 19438147
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
1-(2,3,4-trihydroxy-5-propan-2-ylphenyl)undecan-1-one
CID 58626423

Frequently Asked Questions

What is the IUPAC name of N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide?
The IUPAC name of N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide (CID 2213229) is N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide.
What is the SMILES notation for N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide?
The canonical SMILES for N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide is CCCCCC(=O)NNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide?
The InChIKey is PYYJWHLBONABPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3S/c1-8-9-10-11-20(24)22-23-27(25,26)21-18(15(4)5)12-17(14(2)3)13-19(21)16(6)7/h12-16,23H,8-11H2,1-7H3,(H,22,24).
What are the key properties of N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide?
N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide has a molecular weight of 396.60 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide is sourced from PubChem (CID 2213229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).