N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide

C18H22N2O2S — CID 3418531

IUPACN-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O2S/c1-14(15-10-12-16(13-11-15)18(2,3)4)19-20-23(21,22)17-8-6-5-7-9-17/h5-13,20H,1-4H3
InChIKeyQVTMNNRKRKAKDN-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.69
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide

N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 3418531) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
PubChem CID3418531
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O2S/c1-14(15-10-12-16(13-11-15)18(2,3)4)19-20-23(21,22)17-8-6-5-7-9-17/h5-13,20H,1-4H3
InChIKeyQVTMNNRKRKAKDN-UHFFFAOYSA-N
XLogP3.69
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.69
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

N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide
CID 25237449
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide
CID 86180003
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide (CID 3418531) is N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide is CC(=NNS(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is QVTMNNRKRKAKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14(15-10-12-16(13-11-15)18(2,3)4)19-20-23(21,22)17-8-6-5-7-9-17/h5-13,20H,1-4H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide?
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 3418531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).