2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C15H16N4O3S2 — CID 90572291

IUPAC2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C15H16N4O3S2/c1-22-13-5-2-3-6-14(13)24(20,21)17-9-7-12-11-23-15(18-12)19-10-4-8-16-19/h2-6,8,10-11,17H,7,9H2,1H3
InChIKeyPOAGOELJAYUTEC-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.86
Rot. Bonds7

About 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 90572291) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID90572291
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC Name2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C15H16N4O3S2/c1-22-13-5-2-3-6-14(13)24(20,21)17-9-7-12-11-23-15(18-12)19-10-4-8-16-19/h2-6,8,10-11,17H,7,9H2,1H3
InChIKeyPOAGOELJAYUTEC-UHFFFAOYSA-N
XLogP1.86
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572267
4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572298
2-(3,4-dimethoxyphenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572152
3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 90572102
2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539209
2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177465
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 7693532
2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
4-(chloromethyl)-2-pyrazol-1-yl-1,3-thiazole
CID 71668962

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 90572291) is 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is POAGOELJAYUTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c1-22-13-5-2-3-6-14(13)24(20,21)17-9-7-12-11-23-15(18-12)19-10-4-8-16-19/h2-6,8,10-11,17H,7,9H2,1H3.
What are the key properties of 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90572291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).