2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide

C20H17ClN2O4S — CID 135690830

IUPAC2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(/N=C/c2ccccc2O)ccc1Cl
InChIInChI=1S/C20H17ClN2O4S/c1-27-19-9-5-3-7-17(19)23-28(25,26)20-12-15(10-11-16(20)21)22-13-14-6-2-4-8-18(14)24/h2-13,23-24H,1H3/b22-13+
InChIKeyNGIODHIJEYFKEE-LPYMAVHISA-N
MW416.89 g/mol
LogP4.61
Rot. Bonds6

About 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide

2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 135690830) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID135690830
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Name2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(/N=C/c2ccccc2O)ccc1Cl
InChIInChI=1S/C20H17ClN2O4S/c1-27-19-9-5-3-7-17(19)23-28(25,26)20-12-15(10-11-16(20)21)22-13-14-6-2-4-8-18(14)24/h2-13,23-24H,1H3/b22-13+
InChIKeyNGIODHIJEYFKEE-LPYMAVHISA-N
XLogP4.61
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-hydroxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 135690835
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
CID 135657353
5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4850531
methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31840810
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride
CID 53314731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide (CID 135690830) is 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(/N=C/c2ccccc2O)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is NGIODHIJEYFKEE-LPYMAVHISA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-27-19-9-5-3-7-17(19)23-28(25,26)20-12-15(10-11-16(20)21)22-13-14-6-2-4-8-18(14)24/h2-13,23-24H,1H3/b22-13+.
What are the key properties of 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide?
2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 416.89 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 135690830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).