N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide

C14H13ClN2O4S — CID 135647548

IUPACN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H13ClN2O4S/c1-21-12-3-5-13(6-4-12)22(19,20)17-16-9-10-8-11(15)2-7-14(10)18/h2-9,17-18H,1H3/b16-9-
InChIKeyIGLFCFBYVFVEHD-SXGWCWSVSA-N
MW340.79 g/mol
LogP2.37
Rot. Bonds5

About N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide

N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 135647548) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
PubChem CID135647548
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC NameN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H13ClN2O4S/c1-21-12-3-5-13(6-4-12)22(19,20)17-16-9-10-8-11(15)2-7-14(10)18/h2-9,17-18H,1H3/b16-9-
InChIKeyIGLFCFBYVFVEHD-SXGWCWSVSA-N
XLogP2.37
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135747210
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 135519253
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952
1-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
CID 4075280
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
CID 136683555
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135821656
N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 25169959
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 6908616
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135541690
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003
3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516191

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide (CID 135647548) is N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is IGLFCFBYVFVEHD-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-21-12-3-5-13(6-4-12)22(19,20)17-16-9-10-8-11(15)2-7-14(10)18/h2-9,17-18H,1H3/b16-9-.
What are the key properties of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide?
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 340.79 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 135647548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).