2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

C12H14N2O3S2 — CID 110759565

IUPAC2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C12H14N2O3S2/c1-8-6-9(2)11(10(7-8)17-3)19(15,16)14-12-13-4-5-18-12/h4-7H,1-3H3,(H,13,14)
InChIKeyXCPOVIFIJQOUDE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.57
Rot. Bonds4

About 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110759565) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110759565
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C12H14N2O3S2/c1-8-6-9(2)11(10(7-8)17-3)19(15,16)14-12-13-4-5-18-12/h4-7H,1-3H3,(H,13,14)
InChIKeyXCPOVIFIJQOUDE-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 102694633
5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110757998
2-(ethylaminomethyl)-4-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031666
5-(3-aminoprop-1-ynyl)-2-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60845136
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120711475
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-[4-(fluoromethyl)-2-methoxyphenyl]-6-methyl-N-(1,3-thiazol-2-yl)quinoline-7-sulfonamide
CID 118026696
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 110759565) is 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1cc(C)cc(C)c1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XCPOVIFIJQOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-8-6-9(2)11(10(7-8)17-3)19(15,16)14-12-13-4-5-18-12/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110759565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).