3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide

C21H22N2O3S — CID 135829101

IUPAC3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(/N=C/c2c(O)ccc3ccccc23)c1C
InChIInChI=1S/C21H22N2O3S/c1-14-11-17(27(25,26)23(3)4)12-20(15(14)2)22-13-19-18-8-6-5-7-16(18)9-10-21(19)24/h5-13,24H,1-4H3/b22-13+
InChIKeyOYKJRANEFAMFPT-LPYMAVHISA-N
MW382.49 g/mol
LogP4.16
Rot. Bonds4

About 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide

3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide (PubChem CID 135829101) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide
PubChem CID135829101
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(/N=C/c2c(O)ccc3ccccc23)c1C
InChIInChI=1S/C21H22N2O3S/c1-14-11-17(27(25,26)23(3)4)12-20(15(14)2)22-13-19-18-8-6-5-7-16(18)9-10-21(19)24/h5-13,24H,1-4H3/b22-13+
InChIKeyOYKJRANEFAMFPT-LPYMAVHISA-N
XLogP4.16
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
CID 135595898
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 794050
N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide
CID 137151299
1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
CID 155033275
1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 135459002
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877
(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
CID 135452793
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
1-[(4-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 809927
[5-bromo-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone
CID 4212429

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide?
The IUPAC name of 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide (CID 135829101) is 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide.
What is the SMILES notation for 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide?
The canonical SMILES for 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C)cc(/N=C/c2c(O)ccc3ccccc23)c1C.
What is the InChIKey of 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide?
The InChIKey is OYKJRANEFAMFPT-LPYMAVHISA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-11-17(27(25,26)23(3)4)12-20(15(14)2)22-13-19-18-8-6-5-7-16(18)9-10-21(19)24/h5-13,24H,1-4H3/b22-13+.
What are the key properties of 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide?
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide is sourced from PubChem (CID 135829101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).