N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide

C17H18F2N2O4S — CID 9073491

IUPACN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCCOc1cccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)c1OC(F)F
InChIInChI=1S/C17H18F2N2O4S/c1-3-24-15-6-4-5-13(16(15)25-17(18)19)11-20-21-26(22,23)14-9-7-12(2)8-10-14/h4-11,17,21H,3H2,1-2H3/b20-11-
InChIKeyBOVTUZHRDZRUEN-JAIQZWGSSA-N
MW384.40 g/mol
LogP3.31
Rot. Bonds8

About N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide

N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 9073491) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
PubChem CID9073491
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC NameN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCCOc1cccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)c1OC(F)F
InChIInChI=1S/C17H18F2N2O4S/c1-3-24-15-6-4-5-13(16(15)25-17(18)19)11-20-21-26(22,23)14-9-7-12(2)8-10-14/h4-11,17,21H,3H2,1-2H3/b20-11-
InChIKeyBOVTUZHRDZRUEN-JAIQZWGSSA-N
XLogP3.31
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-bromo-N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516039
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 3991034
4-ethoxy-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516667
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110518068
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2551534
4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
CID 9015411
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135958060
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 135647683
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 9215041
N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 10357801

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide (CID 9073491) is N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide is CCOc1cccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)c1OC(F)F.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is BOVTUZHRDZRUEN-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-3-24-15-6-4-5-13(16(15)25-17(18)19)11-20-21-26(22,23)14-9-7-12(2)8-10-14/h4-11,17,21H,3H2,1-2H3/b20-11-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide?
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 384.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 9073491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).