N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide

C19H24N2O4S — CID 135757806

IUPACN,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(/N=C/c2cc(OC)ccc2O)ccc1C
InChIInChI=1S/C19H24N2O4S/c1-5-21(6-2)26(23,24)19-12-16(8-7-14(19)3)20-13-15-11-17(25-4)9-10-18(15)22/h7-13,22H,5-6H2,1-4H3/b20-13+
InChIKeyNAGRQFXABUKFTA-DEDYPNTBSA-N
MW376.48 g/mol
LogP3.49
Rot. Bonds7

About N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide

N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide (PubChem CID 135757806) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
PubChem CID135757806
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(/N=C/c2cc(OC)ccc2O)ccc1C
InChIInChI=1S/C19H24N2O4S/c1-5-21(6-2)26(23,24)19-12-16(8-7-14(19)3)20-13-15-11-17(25-4)9-10-18(15)22/h7-13,22H,5-6H2,1-4H3/b20-13+
InChIKeyNAGRQFXABUKFTA-DEDYPNTBSA-N
XLogP3.49
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide (CID 135757806) is N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(/N=C/c2cc(OC)ccc2O)ccc1C.
What is the InChIKey of N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide?
The InChIKey is NAGRQFXABUKFTA-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-5-21(6-2)26(23,24)19-12-16(8-7-14(19)3)20-13-15-11-17(25-4)9-10-18(15)22/h7-13,22H,5-6H2,1-4H3/b20-13+.
What are the key properties of N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide?
N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 135757806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).