4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide

C17H20N2O2S — CID 45483195

IUPAC4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide
SMILESCC(C)(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-12H,1-3H3,(H2,18,20,21)/b19-12+
InChIKeyQNBKVIWIMHNHRZ-XDHOZWIPSA-N
MW316.43 g/mol
LogP3.38
Rot. Bonds3

About 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide

4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 45483195) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide
PubChem CID45483195
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide
SMILESCC(C)(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-12H,1-3H3,(H2,18,20,21)/b19-12+
InChIKeyQNBKVIWIMHNHRZ-XDHOZWIPSA-N
XLogP3.38
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Benzylideneamino)benzenesulfonamide
CID 308405
N-(4-Methylbenzylidene)-4-sulfamoylaniline
CID 690836
4-[(4-Fluorobenzylidene)amino]benzenesulfonamide
CID 404324
4-Fluoro-N-(4-sulfamoylbenzylidene)aniline
CID 21862753
N-(4-Sulfamoylbenzylidene)-4-methylaniline
CID 21862824
4-Phenyliminomethyl-benzenesulfonamide
CID 44456679
4-(Benzylideneamino)-3-fluorobenzenesulfonamide
CID 118716952
4-amino-N-(4-tert-butylphenyl)benzenesulfonamide
CID 222114
4-((4-(Dimethylamino)benzylidene)amino)benzenesulfonamide
CID 308411
4-({(E)-[4-((E)-{[4-(Aminosulfonyl)phenyl]imino}methyl)phenyl]methylidene}amino)benzenesulfonamide
CID 3426384
4-((4-Tert-butylbenzylideneamino)methyl)benzenesulfonamide
CID 45483207
4-[2-[(4-Tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 90656464

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide (CID 45483195) is 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide is CC(C)(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is QNBKVIWIMHNHRZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-12H,1-3H3,(H2,18,20,21)/b19-12+.
What are the key properties of 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide?
4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 45483195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).