4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide

C15H15ClN2O3S — CID 135595467

IUPAC4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H15ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+
InChIKeySXECRPVXIQDCIX-VCHYOVAHSA-N
MW338.82 g/mol
LogP2.35
Rot. Bonds5

About 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide

4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 135595467) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID135595467
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H15ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+
InChIKeySXECRPVXIQDCIX-VCHYOVAHSA-N
XLogP2.35
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol
CID 2304556
4-[(E)-(5-Chloro-2-hydroxybenzylidene)amino]benzenesulfonamide
CID 792066
4-(2-(2-Hydroxybenzylideneamino)ethyl)benzenesulfonamide
CID 2368995
4-[2-[(5-Chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 118736327
4-[2-[(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 135595465
4-[2-[(4-Hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 136056550
4-[2-[(2-Hydroxy-3-methylphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 136198643
4-chloro-N'-[(Z)-(2-hydroxyphenyl)methylidene]benzenesulfonohydrazide
CID 135647883
(E)-5-Chlorosalicylidene-p-toluenesulfonohydrazide
CID 135473162
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]benzenesulfonohydrazide
CID 135607515
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 247820
4-[[(2-Hydroxyphenyl)methylideneamino]methyl]benzenesulfonamide
CID 135595341

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 135595467) is 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is SXECRPVXIQDCIX-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+.
What are the key properties of 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 338.82 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 135595467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).