4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide

C12H12N2O3S2 — CID 5407738

IUPAC4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C12H12N2O3S2/c1-17-10-4-6-12(7-5-10)19(15,16)14-13-9-11-3-2-8-18-11/h2-9,14H,1H3/b13-9-
InChIKeyJYWKHWDNFSSASP-LCYFTJDESA-N
MW296.37 g/mol
LogP2.07
Rot. Bonds5

About 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide

4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 5407738) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
PubChem CID5407738
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C12H12N2O3S2/c1-17-10-4-6-12(7-5-10)19(15,16)14-13-9-11-3-2-8-18-11/h2-9,14H,1H3/b13-9-
InChIKeyJYWKHWDNFSSASP-LCYFTJDESA-N
XLogP2.07
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.07
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

3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110517561
4-chloro-N-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 874023
2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 6131907
4-methoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135506648
2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110516904
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
(2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid
CID 5373444
2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5427947
N-[(Z)-1H-imidazol-2-ylmethylideneamino]-4-methoxybenzenesulfonamide
CID 136759638
4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
CID 17338078
N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide
CID 5477861
4-methoxy-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 135567679

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide (CID 5407738) is 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C\c2cccs2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is JYWKHWDNFSSASP-LCYFTJDESA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-17-10-4-6-12(7-5-10)19(15,16)14-13-9-11-3-2-8-18-11/h2-9,14H,1H3/b13-9-.
What are the key properties of 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide?
4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 296.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5407738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).