4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride

C18H23ClN2O2S — CID 90677342

IUPAC4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride
SMILESCC(C)(C)c1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22;/h4-12H,13H2,1-3H3,(H2,19,21,22);1H/b20-12+;
InChIKeyAXJOLEZARNKEPX-BGDWDFROSA-N
MW366.91 g/mol
LogP3.67
Rot. Bonds4

About 4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride

4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride (PubChem CID 90677342) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride
PubChem CID90677342
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride
SMILESCC(C)(C)c1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22;/h4-12H,13H2,1-3H3,(H2,19,21,22);1H/b20-12+;
InChIKeyAXJOLEZARNKEPX-BGDWDFROSA-N
XLogP3.67
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.67
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)methyl)benzenesulfonamide
CID 45483206
Aromatic/heteroaromatic sulfonamide 34
CID 1378039
N-(2-fluorobenzylidene)(4-sulfonamidephenyl)ethanamine
CID 44221942
4-(4-Tert-butylbenzylideneamino)benzenesulfonamide
CID 45483195
4-((4-Tert-butylbenzylideneamino)methyl)benzenesulfonamide
CID 45483207
4-{2-[(E)-Benzylideneamino]ethyl}benzene-1-sulfonamide
CID 71415156
4-[[(4-Tert-butylphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride
CID 90656457
4-[2-[(4-Tert-butylphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 90656464
4-[(Benzylideneamino)methyl]benzenesulfonamide;hydrochloride
CID 90677341
4-[2-[(4-Phenylphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 118716955
4-[2-[(4-Methylsulfanylphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 118716961
4-[2-[(4-Cyanophenyl)methylideneamino]ethyl]benzenesulfonamide
CID 118716962

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride (CID 90677342) is 4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride is CC(C)(C)c1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1.Cl.
What is the InChIKey of 4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride?
The InChIKey is AXJOLEZARNKEPX-BGDWDFROSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22;/h4-12H,13H2,1-3H3,(H2,19,21,22);1H/b20-12+;.
What are the key properties of 4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride?
4-[[(4-tert-butylphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 3.67, 4 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]methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 90677342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).