4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide

C11H11N3O2S2 — CID 2825089

IUPAC4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2nccs2)cc1
InChIInChI=1S/C11H11N3O2S2/c1-9-2-4-10(5-3-9)18(15,16)14-13-8-11-12-6-7-17-11/h2-8,14H,1H3
InChIKeyIVSUKUDJFRFLMZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.76
Rot. Bonds4

About 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide

4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide (PubChem CID 2825089) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
PubChem CID2825089
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Name4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2nccs2)cc1
InChIInChI=1S/C11H11N3O2S2/c1-9-2-4-10(5-3-9)18(15,16)14-13-8-11-12-6-7-17-11/h2-8,14H,1H3
InChIKeyIVSUKUDJFRFLMZ-UHFFFAOYSA-N
XLogP1.76
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.76
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-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
N-[(Z)-(2,6-dichloro-4-pyridinyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6034697
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 67256774
N-[(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 831810
4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 21240194
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
CID 101106192
[(4-methylphenyl)sulfonylhydrazinylidene]methanesulfinic acid
CID 162411258
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide (CID 2825089) is 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2nccs2)cc1.
What is the InChIKey of 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide?
The InChIKey is IVSUKUDJFRFLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-9-2-4-10(5-3-9)18(15,16)14-13-8-11-12-6-7-17-11/h2-8,14H,1H3.
What are the key properties of 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide?
4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide has a molecular weight of 281.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 2825089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).