5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide

C19H24N2O2S — CID 110515892

IUPAC5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1cccc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1
InChIInChI=1S/C19H24N2O2S/c1-14-7-6-8-16(11-14)13-20-21-24(22,23)18-12-17(19(3,4)5)10-9-15(18)2/h6-13,21H,1-5H3/b20-13+
InChIKeyFUWLRMNNHCOWKS-DEDYPNTBSA-N
MW344.48 g/mol
LogP3.91
Rot. Bonds4

About 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide

5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 110515892) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide
PubChem CID110515892
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1cccc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1
InChIInChI=1S/C19H24N2O2S/c1-14-7-6-8-16(11-14)13-20-21-24(22,23)18-12-17(19(3,4)5)10-9-15(18)2/h6-13,21H,1-5H3/b20-13+
InChIKeyFUWLRMNNHCOWKS-DEDYPNTBSA-N
XLogP3.91
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.91
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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Related Compounds

2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
5-tert-butyl-2-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515953
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
5-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]benzenesulfonamide
CID 110515967
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-tert-butyl-2-methylbenzenesulfonamide
CID 110515840
5-tert-butyl-2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110515961
5-tert-butyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylbenzenesulfonamide
CID 136789479
5-tert-butyl-2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110515860
5-tert-butyl-2-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110515878
5-tert-butyl-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
CID 110515869
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135702068

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide (CID 110515892) is 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide is Cc1cccc(/C=N/NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1.
What is the InChIKey of 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is FUWLRMNNHCOWKS-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-7-6-8-16(11-14)13-20-21-24(22,23)18-12-17(19(3,4)5)10-9-15(18)2/h6-13,21H,1-5H3/b20-13+.
What are the key properties of 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide?
5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110515892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).