N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide

C21H20N2O3S — CID 2840139

IUPACN-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(C)ccc2O)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-7-10-18(11-8-15)27(25,26)23-20-6-4-3-5-19(20)22-14-17-13-16(2)9-12-21(17)24/h3-14,23-24H,1-2H3/b22-14+
InChIKeyPIAYDIKLZHXXAT-HYARGMPZSA-N
MW380.47 g/mol
LogP4.56
Rot. Bonds5

About N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide

N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide (PubChem CID 2840139) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
PubChem CID2840139
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(C)ccc2O)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-7-10-18(11-8-15)27(25,26)23-20-6-4-3-5-19(20)22-14-17-13-16(2)9-12-21(17)24/h3-14,23-24H,1-2H3/b22-14+
InChIKeyPIAYDIKLZHXXAT-HYARGMPZSA-N
XLogP4.56
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
CID 1379937
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135541690
4-methyl-N-[2-[[(Z)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]imino-2-nitroprop-1-enyl]amino]phenyl]benzenesulfonamide
CID 12073591
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
2-[(2-ethynylphenyl)iminomethyl]-4-methylphenol
CID 160702098
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
CID 163208817

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide (CID 2840139) is N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(C)ccc2O)cc1.
What is the InChIKey of N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is PIAYDIKLZHXXAT-HYARGMPZSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15-7-10-18(11-8-15)27(25,26)23-20-6-4-3-5-19(20)22-14-17-13-16(2)9-12-21(17)24/h3-14,23-24H,1-2H3/b22-14+.
What are the key properties of N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide?
N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2840139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).