N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide

C20H19N3O5S — CID 22776098

IUPACN-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C20H19N3O5S/c1-2-3-15-4-11-19(12-5-15)29(26,27)22-21-14-18-10-13-20(28-18)16-6-8-17(9-7-16)23(24)25/h4-14,22H,2-3H2,1H3/b21-14-
InChIKeyFGTIJUQTLPLCNQ-STZFKDTASA-N
MW413.46 g/mol
LogP4.12
Rot. Bonds8

About N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide

N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide (PubChem CID 22776098) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide
PubChem CID22776098
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C20H19N3O5S/c1-2-3-15-4-11-19(12-5-15)29(26,27)22-21-14-18-10-13-20(28-18)16-6-8-17(9-7-16)23(24)25/h4-14,22H,2-3H2,1H3/b21-14-
InChIKeyFGTIJUQTLPLCNQ-STZFKDTASA-N
XLogP4.12
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 842355
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3426936
2-(4-methoxyphenyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6897039
1-(3,4-dimethoxyphenyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 92658226
3-(diethylsulfamoyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6893231
2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 14956043
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
4-methyl-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 2279269
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370500
ethane;1-nitro-4-propylbenzene
CID 123575523
2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 4297577

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide (CID 22776098) is N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1.
What is the InChIKey of N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide?
The InChIKey is FGTIJUQTLPLCNQ-STZFKDTASA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-2-3-15-4-11-19(12-5-15)29(26,27)22-21-14-18-10-13-20(28-18)16-6-8-17(9-7-16)23(24)25/h4-14,22H,2-3H2,1H3/b21-14-.
What are the key properties of N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide?
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide has a molecular weight of 413.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide is sourced from PubChem (CID 22776098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).