(NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide

C23H31NO2S — CID 71681926

IUPAC(NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCc1ccccc1/C=N/S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C23H31NO2S/c1-15(2)20-12-21(16(3)4)23(22(13-20)17(5)6)27(25,26)24-14-19-11-9-8-10-18(19)7/h8-17H,1-7H3/b24-14+
InChIKeyNOJCUGDNOGUJIY-ZVHZXABRSA-N
MW385.57 g/mol
LogP6.17
Rot. Bonds6

About (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide

(NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 71681926) has the molecular formula C23H31NO2S and a molecular weight of 385.57 g/mol. Its IUPAC name is (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID71681926
Molecular FormulaC23H31NO2S
Molecular Weight385.57 g/mol
Exact Mass385.21
IUPAC Name(NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCc1ccccc1/C=N/S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C23H31NO2S/c1-15(2)20-12-21(16(3)4)23(22(13-20)17(5)6)27(25,26)24-14-19-11-9-8-10-18(19)7/h8-17H,1-7H3/b24-14+
InChIKeyNOJCUGDNOGUJIY-ZVHZXABRSA-N
XLogP6.17
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.57
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene
CID 5382407
methylidene-[2,4,6-tri(propan-2-yl)phenyl]sulfonyliminoazanium
CID 159723459
N-[2-(benzyliminomethyl)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 70984488
lithium 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 155386874
N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 2058209
(E)-(2-methylphenyl)methylidenehydrazine
CID 22712356
methyl (E,2E)-4-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfonyliminobut-3-enoate
CID 46863486
3,12,21-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,12,21-triazatetracyclo[21.4.0.05,10.014,19]heptacosa-1(27),5,7,9,14,16,18,23,25-nonaene
CID 11007699
oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane
CID 59594085
ethane;N-methyl-1-(2-methylphenyl)methanimine
CID 91511735
N-[(1S)-2-amino-1,2-diphenylethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 90254730
(4bS,9bS)-5,10-bis[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-4b,9b-dihydroindolo[3,2-b]indole
CID 101448498

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 71681926) is (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide is Cc1ccccc1/C=N/S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is NOJCUGDNOGUJIY-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H31NO2S/c1-15(2)20-12-21(16(3)4)23(22(13-20)17(5)6)27(25,26)24-14-19-11-9-8-10-18(19)7/h8-17H,1-7H3/b24-14+.
What are the key properties of (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
(NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 385.57 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-methylphenyl)methylidene]-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 71681926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).