(NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide

C16H14N2O3S2 — CID 10712602

IUPAC(NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCOc1cccc(-n2ccs/c2=N/S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H14N2O3S2/c1-21-14-7-5-6-13(12-14)18-10-11-22-16(18)17-23(19,20)15-8-3-2-4-9-15/h2-12H,1H3/b17-16+
InChIKeyJOPDISXUXWEUHG-WUKNDPDISA-N
MW346.43 g/mol
LogP2.84
Rot. Bonds4

About (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide

(NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide (PubChem CID 10712602) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
PubChem CID10712602
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name(NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCOc1cccc(-n2ccs/c2=N/S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H14N2O3S2/c1-21-14-7-5-6-13(12-14)18-10-11-22-16(18)17-23(19,20)15-8-3-2-4-9-15/h2-12H,1H3/b17-16+
InChIKeyJOPDISXUXWEUHG-WUKNDPDISA-N
XLogP2.84
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 126212127
N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849401
(NZ)-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937064
lithium benzenesulfonyl-(3-methoxyphenyl)azanide
CID 135051821
N-diazo-3-methoxybenzenesulfonamide
CID 81259171
ethyl 2-[2-(benzenesulfonylimino)-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 40849387
1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 121216485
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
(NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide
CID 15697867
3-methoxybenzenesulfonamide
CID 14763060
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine
CID 106559903

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide?
The IUPAC name of (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide (CID 10712602) is (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide?
The canonical SMILES for (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide is COc1cccc(-n2ccs/c2=N/S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide?
The InChIKey is JOPDISXUXWEUHG-WUKNDPDISA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-21-14-7-5-6-13(12-14)18-10-11-22-16(18)17-23(19,20)15-8-3-2-4-9-15/h2-12H,1H3/b17-16+.
What are the key properties of (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide?
(NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide has a molecular weight of 346.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 10712602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).