N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide

C17H15N3O4S — CID 163360864

IUPACN-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H15N3O4S/c1-11(16-10-13-4-2-3-5-15(13)24-16)19-20-17(21)12-6-8-14(9-7-12)25(18,22)23/h2-10H,1H3,(H,20,21)(H2,18,22,23)/b19-11+
InChIKeyPXBUSPLTIHIFHF-YBFXNURJSA-N
MW357.39 g/mol
LogP2.23
Rot. Bonds4

About N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide

N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide (PubChem CID 163360864) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide
PubChem CID163360864
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H15N3O4S/c1-11(16-10-13-4-2-3-5-15(13)24-16)19-20-17(21)12-6-8-14(9-7-12)25(18,22)23/h2-10H,1H3,(H,20,21)(H2,18,22,23)/b19-11+
InChIKeyPXBUSPLTIHIFHF-YBFXNURJSA-N
XLogP2.23
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
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

N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
CID 6149535
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 16556101
4-amino-N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]benzamide
CID 9070813
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-chloro-2-hydroxybenzamide
CID 9297796
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 7431748
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 4600843
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 6262544

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide?
The IUPAC name of N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide (CID 163360864) is N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide is C/C(=N\NC(=O)c1ccc(S(N)(=O)=O)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide?
The InChIKey is PXBUSPLTIHIFHF-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11(16-10-13-4-2-3-5-15(13)24-16)19-20-17(21)12-6-8-14(9-7-12)25(18,22)23/h2-10H,1H3,(H,20,21)(H2,18,22,23)/b19-11+.
What are the key properties of N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide?
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide has a molecular weight of 357.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide is sourced from PubChem (CID 163360864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).