4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide

C11H9N3O4S2 — CID 842353

IUPAC4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2ccsc2)cc1
InChIInChI=1S/C11H9N3O4S2/c15-14(16)10-1-3-11(4-2-10)20(17,18)13-12-7-9-5-6-19-8-9/h1-8,13H
InChIKeyJOBYFKGRQHCJLQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.97
Rot. Bonds5

About 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide

4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide (PubChem CID 842353) has the molecular formula C11H9N3O4S2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
PubChem CID842353
Molecular FormulaC11H9N3O4S2
Molecular Weight311.34 g/mol
Exact Mass311.00
IUPAC Name4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2ccsc2)cc1
InChIInChI=1S/C11H9N3O4S2/c15-14(16)10-1-3-11(4-2-10)20(17,18)13-12-7-9-5-6-19-8-9/h1-8,13H
InChIKeyJOBYFKGRQHCJLQ-UHFFFAOYSA-N
XLogP1.97
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.97
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

4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 4167006
4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931
4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 46498198
4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 136851968
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzenesulfonamide
CID 17338070
4-methyl-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 2279269
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135958010
N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 842355
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135747210
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
N,N-diethyl-5-nitro-2-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 9060858
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3807440

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide (CID 842353) is 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2ccsc2)cc1.
What is the InChIKey of 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide?
The InChIKey is JOBYFKGRQHCJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S2/c15-14(16)10-1-3-11(4-2-10)20(17,18)13-12-7-9-5-6-19-8-9/h1-8,13H.
What are the key properties of 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide?
4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide has a molecular weight of 311.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 842353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).