N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide

C20H34N2O2S — CID 12563993

IUPACN-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(C)C
InChIInChI=1S/C20H34N2O2S/c1-12(2)16(9)21-22-25(23,24)20-18(14(5)6)10-17(13(3)4)11-19(20)15(7)8/h10-15,22H,1-9H3/b21-16+
InChIKeyOHFHORVSDQGIMU-LTGZKZEYSA-N
MW366.57 g/mol
LogP5.37
Rot. Bonds7

About N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 12563993) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID12563993
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC NameN-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(C)C
InChIInChI=1S/C20H34N2O2S/c1-12(2)16(9)21-22-25(23,24)20-18(14(5)6)10-17(13(3)4)11-19(20)15(7)8/h10-15,22H,1-9H3/b21-16+
InChIKeyOHFHORVSDQGIMU-LTGZKZEYSA-N
XLogP5.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 12563993) is N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide is C/C(=N\NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(C)C.
What is the InChIKey of N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is OHFHORVSDQGIMU-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-12(2)16(9)21-22-25(23,24)20-18(14(5)6)10-17(13(3)4)11-19(20)15(7)8/h10-15,22H,1-9H3/b21-16+.
What are the key properties of N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 366.57 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 12563993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).