2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide

C13H14N2O4S2 — CID 6131907

IUPAC2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C\c2cccs2)c1
InChIInChI=1S/C13H14N2O4S2/c1-18-10-5-6-12(19-2)13(8-10)21(16,17)15-14-9-11-4-3-7-20-11/h3-9,15H,1-2H3/b14-9-
InChIKeyPFKMYGFLPKLTEA-ZROIWOOFSA-N
MW326.40 g/mol
LogP2.08
Rot. Bonds6

About 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide

2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 6131907) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
PubChem CID6131907
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C\c2cccs2)c1
InChIInChI=1S/C13H14N2O4S2/c1-18-10-5-6-12(19-2)13(8-10)21(16,17)15-14-9-11-4-3-7-20-11/h3-9,15H,1-2H3/b14-9-
InChIKeyPFKMYGFLPKLTEA-ZROIWOOFSA-N
XLogP2.08
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 5407738
3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110517561
N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 6170879
2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516616
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516512
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647812
2,5-dimethoxy-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]benzenesulfonamide
CID 110516624
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110516904
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516552

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide (CID 6131907) is 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N/N=C\c2cccs2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is PFKMYGFLPKLTEA-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-18-10-5-6-12(19-2)13(8-10)21(16,17)15-14-9-11-4-3-7-20-11/h3-9,15H,1-2H3/b14-9-.
What are the key properties of 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 326.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 6131907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).