N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide

C14H13F2N3O5S2 — CID 9070203

IUPACN-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2ccc(CSC(F)F)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13F2N3O5S2/c1-9-2-5-12(6-13(9)19(20)21)26(22,23)18-17-7-10-3-4-11(24-10)8-25-14(15)16/h2-7,14,18H,8H2,1H3/b17-7-
InChIKeyFXHONYWUIBLMOH-IDUWFGFVSA-N
MW405.40 g/mol
LogP3.26
Rot. Bonds8

About N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide

N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide (PubChem CID 9070203) has the molecular formula C14H13F2N3O5S2 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
PubChem CID9070203
Molecular FormulaC14H13F2N3O5S2
Molecular Weight405.40 g/mol
Exact Mass405.03
IUPAC NameN-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2ccc(CSC(F)F)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13F2N3O5S2/c1-9-2-5-12(6-13(9)19(20)21)26(22,23)18-17-7-10-3-4-11(24-10)8-25-14(15)16/h2-7,14,18H,8H2,1H3/b17-7-
InChIKeyFXHONYWUIBLMOH-IDUWFGFVSA-N
XLogP3.26
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(4-methylphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 4858281
4-methyl-3-nitro-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzenesulfonamide
CID 16796268
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 5350142
N-[(Z)-(4-anilinophenyl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 7601966
4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-nitrobenzenesulfonamide
CID 6216480
4-methyl-3-nitro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzenesulfonamide
CID 7955359
N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 842355
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3426936
4-methyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 2836744
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 4124626
N-butyl-4-methyl-3-nitrobenzenesulfonamide
CID 2836737
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 135892483

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide (CID 9070203) is N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C\c2ccc(CSC(F)F)o2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide?
The InChIKey is FXHONYWUIBLMOH-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H13F2N3O5S2/c1-9-2-5-12(6-13(9)19(20)21)26(22,23)18-17-7-10-3-4-11(24-10)8-25-14(15)16/h2-7,14,18H,8H2,1H3/b17-7-.
What are the key properties of N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide?
N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide has a molecular weight of 405.40 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 9070203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).