4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide

C18H15ClN4O4S — CID 3878914

IUPAC4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C18H15ClN4O4S/c1-27-18-17(20-8-9-21-18)23-28(25,26)15-5-3-14(4-6-15)22-11-12-10-13(19)2-7-16(12)24/h2-11,24H,1H3,(H,20,23)/b22-11+
InChIKeyADOYLMLQSJYNAJ-SSDVNMTOSA-N
MW418.86 g/mol
LogP3.40
Rot. Bonds6

About 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide

4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide (PubChem CID 3878914) has the molecular formula C18H15ClN4O4S and a molecular weight of 418.86 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
PubChem CID3878914
Molecular FormulaC18H15ClN4O4S
Molecular Weight418.86 g/mol
Exact Mass418.05
IUPAC Name4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C18H15ClN4O4S/c1-27-18-17(20-8-9-21-18)23-28(25,26)15-5-3-14(4-6-15)22-11-12-10-13(19)2-7-16(12)24/h2-11,24H,1H3,(H,20,23)/b22-11+
InChIKeyADOYLMLQSJYNAJ-SSDVNMTOSA-N
XLogP3.40
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135537125
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254
4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide
CID 25041460
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135647548
4-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 6624904
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
CID 68857071
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 135860245
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol
CID 68855747
N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide
CID 101043457
5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 135758621
dimethyl 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595456

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide (CID 3878914) is 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide is COc1nccnc1NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide?
The InChIKey is ADOYLMLQSJYNAJ-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H15ClN4O4S/c1-27-18-17(20-8-9-21-18)23-28(25,26)15-5-3-14(4-6-15)22-11-12-10-13(19)2-7-16(12)24/h2-11,24H,1H3,(H,20,23)/b22-11+.
What are the key properties of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide?
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide has a molecular weight of 418.86 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 3878914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).