N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide

C20H17ClN2O3S — CID 1342169

IUPACN-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H17ClN2O3S/c21-19-13-17(11-12-20(19)26-15-16-7-3-1-4-8-16)14-22-23-27(24,25)18-9-5-2-6-10-18/h1-14,23H,15H2
InChIKeyWKCFZIKZOQXYMO-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.23
Rot. Bonds7

About N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide

N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 1342169) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID1342169
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H17ClN2O3S/c21-19-13-17(11-12-20(19)26-15-16-7-3-1-4-8-16)14-22-23-27(24,25)18-9-5-2-6-10-18/h1-14,23H,15H2
InChIKeyWKCFZIKZOQXYMO-UHFFFAOYSA-N
XLogP4.23
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 110509572
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110507323
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 6872611
2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840047
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516704
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
CID 3813802
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
N'-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
3,4-dimethoxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517474
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6248419
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841957

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide (CID 1342169) is N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide is O=S(=O)(NN=Cc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is WKCFZIKZOQXYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c21-19-13-17(11-12-20(19)26-15-16-7-3-1-4-8-16)14-22-23-27(24,25)18-9-5-2-6-10-18/h1-14,23H,15H2.
What are the key properties of N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide?
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 400.89 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1342169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).