4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide

C17H14ClN3O3S — CID 3765394

IUPAC4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C17H14ClN3O3S/c18-13-3-1-2-12(10-13)17-9-6-15(24-17)11-20-21-14-4-7-16(8-5-14)25(19,22)23/h1-11,21H,(H2,19,22,23)
InChIKeyVDCPZBJGZSMDPI-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.69
Rot. Bonds5

About 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide

4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide (PubChem CID 3765394) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
PubChem CID3765394
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C17H14ClN3O3S/c18-13-3-1-2-12(10-13)17-9-6-15(24-17)11-20-21-14-4-7-16(8-5-14)25(19,22)23/h1-11,21H,(H2,19,22,23)
InChIKeyVDCPZBJGZSMDPI-UHFFFAOYSA-N
XLogP3.69
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.69
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

4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 50883679
2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50887505
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060006
4-[(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 18280389
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 6178813
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 94829794
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208899
3-chloro-N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7640468
3-chloro-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7227483
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208907

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide (CID 3765394) is 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(NN=Cc2ccc(-c3cccc(Cl)c3)o2)cc1.
What is the InChIKey of 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is VDCPZBJGZSMDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c18-13-3-1-2-12(10-13)17-9-6-15(24-17)11-20-21-14-4-7-16(8-5-14)25(19,22)23/h1-11,21H,(H2,19,22,23).
What are the key properties of 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide?
4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 375.84 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 3765394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).