4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide

C19H17ClN2O4S — CID 1357172

IUPAC4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H17ClN2O4S/c1-25-16-6-4-15(5-7-16)21-12-17-8-9-18(26-17)13-22-27(23,24)19-10-2-14(20)3-11-19/h2-12,22H,13H2,1H3/b21-12+
InChIKeyVJOAOOITYCXDLS-CIAFOILYSA-N
MW404.88 g/mol
LogP4.17
Rot. Bonds7

About 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide

4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide (PubChem CID 1357172) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide
PubChem CID1357172
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H17ClN2O4S/c1-25-16-6-4-15(5-7-16)21-12-17-8-9-18(26-17)13-22-27(23,24)19-10-2-14(20)3-11-19/h2-12,22H,13H2,1H3/b21-12+
InChIKeyVJOAOOITYCXDLS-CIAFOILYSA-N
XLogP4.17
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide (CID 1357172) is 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide is COc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is VJOAOOITYCXDLS-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-25-16-6-4-15(5-7-16)21-12-17-8-9-18(26-17)13-22-27(23,24)19-10-2-14(20)3-11-19/h2-12,22H,13H2,1H3/b21-12+.
What are the key properties of 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide?
4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 404.88 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1357172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).