N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide

C18H15ClN2O4S — CID 5430595

IUPACN-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc(COc2ccccc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H15ClN2O4S/c19-17-8-4-5-9-18(17)24-13-15-11-10-14(25-15)12-20-21-26(22,23)16-6-2-1-3-7-16/h1-12,21H,13H2/b20-12-
InChIKeyHIHVGBSNZRARKZ-NDENLUEZSA-N
MW390.85 g/mol
LogP3.82
Rot. Bonds7

About N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide

N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide (PubChem CID 5430595) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide
PubChem CID5430595
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC NameN-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc(COc2ccccc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H15ClN2O4S/c19-17-8-4-5-9-18(17)24-13-15-11-10-14(25-15)12-20-21-26(22,23)16-6-2-1-3-7-16/h1-12,21H,13H2/b20-12-
InChIKeyHIHVGBSNZRARKZ-NDENLUEZSA-N
XLogP3.82
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide (CID 5430595) is N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C\c1ccc(COc2ccccc2Cl)o1)c1ccccc1.
What is the InChIKey of N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide?
The InChIKey is HIHVGBSNZRARKZ-NDENLUEZSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c19-17-8-4-5-9-18(17)24-13-15-11-10-14(25-15)12-20-21-26(22,23)16-6-2-1-3-7-16/h1-12,21H,13H2/b20-12-.
What are the key properties of N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide?
N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide has a molecular weight of 390.85 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-[(2-chlorophenoxy)methyl]furan-2-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5430595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).