N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide

C16H17ClN2O5S — CID 135958231

IUPACN-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2cc(Cl)ccc2O)c(OC)c1
InChIInChI=1S/C16H17ClN2O5S/c1-10(13-8-11(17)4-6-14(13)20)18-19-25(21,22)16-7-5-12(23-2)9-15(16)24-3/h4-9,19-20H,1-3H3/b18-10-
InChIKeyCUYCIHPHYSFYRB-ZDLGFXPLSA-N
MW384.84 g/mol
LogP2.77
Rot. Bonds6

About N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide

N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide (PubChem CID 135958231) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide
PubChem CID135958231
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC NameN-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2cc(Cl)ccc2O)c(OC)c1
InChIInChI=1S/C16H17ClN2O5S/c1-10(13-8-11(17)4-6-14(13)20)18-19-25(21,22)16-7-5-12(23-2)9-15(16)24-3/h4-9,19-20H,1-3H3/b18-10-
InChIKeyCUYCIHPHYSFYRB-ZDLGFXPLSA-N
XLogP2.77
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide (CID 135958231) is N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C(/C)c2cc(Cl)ccc2O)c(OC)c1.
What is the InChIKey of N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is CUYCIHPHYSFYRB-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c1-10(13-8-11(17)4-6-14(13)20)18-19-25(21,22)16-7-5-12(23-2)9-15(16)24-3/h4-9,19-20H,1-3H3/b18-10-.
What are the key properties of N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide?
N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 384.84 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 135958231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).