N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide

C12H11N3O5S — CID 842355

IUPACN-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
SMILESCc1ccc(C=NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C12H11N3O5S/c1-9-2-5-11(20-9)8-13-14-21(18,19)12-6-3-10(4-7-12)15(16)17/h2-8,14H,1H3
InChIKeyRAPXVWNVZAVEFT-UHFFFAOYSA-N
MW309.30 g/mol
LogP1.81
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide

N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide (PubChem CID 842355) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
PubChem CID842355
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC NameN-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
SMILESCc1ccc(C=NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C12H11N3O5S/c1-9-2-5-11(20-9)8-13-14-21(18,19)12-6-3-10(4-7-12)15(16)17/h2-8,14H,1H3
InChIKeyRAPXVWNVZAVEFT-UHFFFAOYSA-N
XLogP1.81
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.81
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'}

Analyze N-[(5-methylfuran-2-yl)methylideneamino]-4-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

N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide
CID 22776098
3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110516073
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773
3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110517456
4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931
4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
CID 6894037
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3426936
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
4-methyl-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 2279269
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 842353
4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 136851968

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide (CID 842355) is N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide is Cc1ccc(C=NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide?
The InChIKey is RAPXVWNVZAVEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c1-9-2-5-11(20-9)8-13-14-21(18,19)12-6-3-10(4-7-12)15(16)17/h2-8,14H,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide?
N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide has a molecular weight of 309.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 842355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).