4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide

C15H15ClN2O3S — CID 136668780

IUPAC4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
SMILESCC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C15H15ClN2O3S/c1-2-14(13-5-3-4-6-15(13)19)17-18-22(20,21)12-9-7-11(16)8-10-12/h3-10,18-19H,2H2,1H3/b17-14-
InChIKeyKYCWNZGXYIDXDK-VKAVYKQESA-N
MW338.82 g/mol
LogP3.14
Rot. Bonds5

About 4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide

4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide (PubChem CID 136668780) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
PubChem CID136668780
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
SMILESCC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C15H15ClN2O3S/c1-2-14(13-5-3-4-6-15(13)19)17-18-22(20,21)12-9-7-11(16)8-10-12/h3-10,18-19H,2H2,1H3/b17-14-
InChIKeyKYCWNZGXYIDXDK-VKAVYKQESA-N
XLogP3.14
TPSA78.76 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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 135957990
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide
CID 135958056
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647727
4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 135678808
4-chloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679431
N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide
CID 3265581
4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide
CID 6187295
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide (CID 136668780) is 4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide is CC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O.
What is the InChIKey of 4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
The InChIKey is KYCWNZGXYIDXDK-VKAVYKQESA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-2-14(13-5-3-4-6-15(13)19)17-18-22(20,21)12-9-7-11(16)8-10-12/h3-10,18-19H,2H2,1H3/b17-14-.
What are the key properties of 4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide has a molecular weight of 338.82 g/mol, XLogP of 3.14, 5 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-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide is sourced from PubChem (CID 136668780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).