4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide

C14H13ClN2O3S — CID 135948718

IUPAC4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10(11-2-6-13(18)7-3-11)16-17-21(19,20)14-8-4-12(15)5-9-14/h2-9,17-18H,1H3/b16-10-
InChIKeyAOYYRVUKXIYNEL-YBEGLDIGSA-N
MW324.79 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide

4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 135948718) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
PubChem CID135948718
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10(11-2-6-13(18)7-3-11)16-17-21(19,20)14-8-4-12(15)5-9-14/h2-9,17-18H,1H3/b16-10-
InChIKeyAOYYRVUKXIYNEL-YBEGLDIGSA-N
XLogP2.75
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-chloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679431
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide
CID 6153990
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide
CID 6187295
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
4-chloro-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzenesulfonamide
CID 135426139

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide (CID 135948718) is 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is AOYYRVUKXIYNEL-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-10(11-2-6-13(18)7-3-11)16-17-21(19,20)14-8-4-12(15)5-9-14/h2-9,17-18H,1H3/b16-10-.
What are the key properties of 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide?
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 324.79 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 135948718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).