5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide

C20H27N3O4S — CID 135774521

IUPAC5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(/C=N/c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c(O)c1
InChIInChI=1S/C20H27N3O4S/c1-6-23(7-2)17-10-8-15(18(24)13-17)14-21-16-9-11-19(27-5)20(12-16)28(25,26)22(3)4/h8-14,24H,6-7H2,1-5H3/b21-14+
InChIKeyJYXIIQKJFPVMIY-KGENOOAVSA-N
MW405.52 g/mol
LogP3.25
Rot. Bonds8

About 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide

5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 135774521) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID135774521
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(/C=N/c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c(O)c1
InChIInChI=1S/C20H27N3O4S/c1-6-23(7-2)17-10-8-15(18(24)13-17)14-21-16-9-11-19(27-5)20(12-16)28(25,26)22(3)4/h8-14,24H,6-7H2,1-5H3/b21-14+
InChIKeyJYXIIQKJFPVMIY-KGENOOAVSA-N
XLogP3.25
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol
CID 136733745
5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 135758621
5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 135758620
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567
2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
CID 142086910
2-(1,3-benzodioxol-5-yliminomethyl)-5-(diethylamino)phenol
CID 2352957
5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol
CID 135774334
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 5135490
2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 135675128
5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol
CID 135710898

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide (CID 135774521) is 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide is CCN(CC)c1ccc(/C=N/c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c(O)c1.
What is the InChIKey of 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is JYXIIQKJFPVMIY-KGENOOAVSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-6-23(7-2)17-10-8-15(18(24)13-17)14-21-16-9-11-19(27-5)20(12-16)28(25,26)22(3)4/h8-14,24H,6-7H2,1-5H3/b21-14+.
What are the key properties of 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide?
5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 135774521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).