N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide

C24H21N3O4S — CID 132817469

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc2)no1
InChIInChI=1S/C24H21N3O4S/c1-18-15-24(26-31-18)27-32(28,29)23-13-9-21(10-14-23)25-16-19-7-11-22(12-8-19)30-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3,(H,26,27)/b25-16+
InChIKeyMABAKQCAUVRKBY-PCLIKHOPSA-N
MW447.52 g/mol
LogP5.11
Rot. Bonds8

About N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide

N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 132817469) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID132817469
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc2)no1
InChIInChI=1S/C24H21N3O4S/c1-18-15-24(26-31-18)27-32(28,29)23-13-9-21(10-14-23)25-16-19-7-11-22(12-8-19)30-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3,(H,26,27)/b25-16+
InChIKeyMABAKQCAUVRKBY-PCLIKHOPSA-N
XLogP5.11
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.52
LogP ≤ 55.11
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

4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 21212200
benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate
CID 22215162
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 4545791
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 75476941
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
N-benzyl-N-methyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109060736
4-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-pyridin-1-ium-2-ylbenzenesulfonamide
CID 5103019
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 4511482
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide (CID 132817469) is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is MABAKQCAUVRKBY-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-18-15-24(26-31-18)27-32(28,29)23-13-9-21(10-14-23)25-16-19-7-11-22(12-8-19)30-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3,(H,26,27)/b25-16+.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 447.52 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 132817469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).