2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide

C14H16N2O2S2 — CID 110516904

IUPAC2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N/N=C/c2cccs2)c(C)c1
InChIInChI=1S/C14H16N2O2S2/c1-10-7-11(2)14(12(3)8-10)20(17,18)16-15-9-13-5-4-6-19-13/h4-9,16H,1-3H3/b15-9+
InChIKeyBCAHZEABGOWEDF-OQLLNIDSSA-N
MW308.43 g/mol
LogP2.99
Rot. Bonds4

About 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide

2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 110516904) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
PubChem CID110516904
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N/N=C/c2cccs2)c(C)c1
InChIInChI=1S/C14H16N2O2S2/c1-10-7-11(2)14(12(3)8-10)20(17,18)16-15-9-13-5-4-6-19-13/h4-9,16H,1-3H3/b15-9+
InChIKeyBCAHZEABGOWEDF-OQLLNIDSSA-N
XLogP2.99
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 6131907
N-[(E)-(4-tert-butylphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 110516894
4-chloro-N-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 874023
4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 5407738
3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110517561
[3-[(Z)-[(2,4,6-trimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl]boronic acid
CID 67451502
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873473
2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 15922018
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
CID 110518160
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873469
N-(thiophen-2-ylmethylideneamino)formamide
CID 4188551
5-pyridin-2-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-sulfonamide
CID 2820420

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide (CID 110516904) is 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N/N=C/c2cccs2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is BCAHZEABGOWEDF-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-7-11(2)14(12(3)8-10)20(17,18)16-15-9-13-5-4-6-19-13/h4-9,16H,1-3H3/b15-9+.
What are the key properties of 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 308.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 110516904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).