N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide

C13H11N3O2S2 — CID 67256774

IUPACN-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(C#N)s2)cc1
InChIInChI=1S/C13H11N3O2S2/c1-10-2-6-13(7-3-10)20(17,18)16-15-9-12-5-4-11(8-14)19-12/h2-7,9,16H,1H3
InChIKeyOQOGOXLCLFMAQK-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.24
Rot. Bonds4

About N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide

N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 67256774) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID67256774
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccc(C#N)s2)cc1
InChIInChI=1S/C13H11N3O2S2/c1-10-2-6-13(7-3-10)20(17,18)16-15-9-12-5-4-11(8-14)19-12/h2-7,9,16H,1H3
InChIKeyOQOGOXLCLFMAQK-UHFFFAOYSA-N
XLogP2.24
TPSA82.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
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

N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 2725204
4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
CID 2825089
N-[(Z)-(2,6-dichloro-4-pyridinyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6034697
4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 164667639
N-[(E)-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 126002761
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 4208152
benzaldehyde;N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide;bis(carbon dioxide);methanol;4-methylbenzenesulfonohydrazide
CID 172943404
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide (CID 67256774) is N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2ccc(C#N)s2)cc1.
What is the InChIKey of N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is OQOGOXLCLFMAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-10-2-6-13(7-3-10)20(17,18)16-15-9-12-5-4-11(8-14)19-12/h2-7,9,16H,1H3.
What are the key properties of N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 305.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 67256774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).