4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide

C12H11NO2S2 — CID 693815

IUPAC4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2cccs2)cc1
InChIInChI=1S/C12H11NO2S2/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-9H,1H3
InChIKeyQTWZZLGYRFTEMV-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.86
Rot. Bonds3

About 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide

4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide (PubChem CID 693815) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
PubChem CID693815
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2cccs2)cc1
InChIInChI=1S/C12H11NO2S2/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-9H,1H3
InChIKeyQTWZZLGYRFTEMV-UHFFFAOYSA-N
XLogP2.86
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethylidene)thiophene-2-sulfonamide
CID 693839
(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide
CID 110518897
(NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide
CID 135073250
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide
CID 170338972
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 720211
4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide
CID 175563015
N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 71417577
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
4-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 710286
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide (CID 693815) is 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2cccs2)cc1.
What is the InChIKey of 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide?
The InChIKey is QTWZZLGYRFTEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c1-10-4-6-12(7-5-10)17(14,15)13-9-11-3-2-8-16-11/h2-9H,1H3.
What are the key properties of 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide?
4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide has a molecular weight of 265.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide is sourced from PubChem (CID 693815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).