4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide

C17H16N4O5S2 — CID 50883679

IUPAC4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C17H16N4O5S2/c18-27(22,23)15-6-1-12(2-7-15)17-10-5-14(26-17)11-20-21-13-3-8-16(9-4-13)28(19,24)25/h1-11,21H,(H2,18,22,23)(H2,19,24,25)
InChIKeyAXCPXLGUNARUCP-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.69
Rot. Bonds6

About 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide

4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide (PubChem CID 50883679) has the molecular formula C17H16N4O5S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
PubChem CID50883679
Molecular FormulaC17H16N4O5S2
Molecular Weight420.47 g/mol
Exact Mass420.06
IUPAC Name4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C17H16N4O5S2/c18-27(22,23)15-6-1-12(2-7-15)17-10-5-14(26-17)11-20-21-13-3-8-16(9-4-13)28(19,24)25/h1-11,21H,(H2,18,22,23)(H2,19,24,25)
InChIKeyAXCPXLGUNARUCP-UHFFFAOYSA-N
XLogP1.69
TPSA157.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870
4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
CID 3765394
1-(4-propan-2-ylphenyl)-3-[(E)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea
CID 42992296
4-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 18280389
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9211886
4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 6218436
4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide
CID 9217266
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
CID 9215163
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208900
(E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate
CID 7128748

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide (CID 50883679) is 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(NN=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1.
What is the InChIKey of 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide?
The InChIKey is AXCPXLGUNARUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S2/c18-27(22,23)15-6-1-12(2-7-15)17-10-5-14(26-17)11-20-21-13-3-8-16(9-4-13)28(19,24)25/h1-11,21H,(H2,18,22,23)(H2,19,24,25).
What are the key properties of 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide?
4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide has a molecular weight of 420.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide is sourced from PubChem (CID 50883679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).