N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide

C15H17N3O4S — CID 138052553

IUPACN-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide
SMILESCOCCc1cc(NS(=O)(=O)c2coc3ccccc23)n(C)n1
InChIInChI=1S/C15H17N3O4S/c1-18-15(9-11(16-18)7-8-21-2)17-23(19,20)14-10-22-13-6-4-3-5-12(13)14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyQJTITXGGIYULTA-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.16
Rot. Bonds6

About N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide

N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide (PubChem CID 138052553) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide
PubChem CID138052553
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide
SMILESCOCCc1cc(NS(=O)(=O)c2coc3ccccc23)n(C)n1
InChIInChI=1S/C15H17N3O4S/c1-18-15(9-11(16-18)7-8-21-2)17-23(19,20)14-10-22-13-6-4-3-5-12(13)14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyQJTITXGGIYULTA-UHFFFAOYSA-N
XLogP2.16
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-Fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine
CID 117333786
3-(5-Fluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine
CID 117333789
3-(4,6-Difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine
CID 117375216
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide
CID 167843378
N-[(2S)-1-[bis(2-methylpropyl)amino]-4-methylpentan-2-yl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide
CID 132218430
Ethyl 6-[(2-cyclohexyl-5-methylpyrazol-3-yl)sulfamoyl]-1-benzofuran-2-carboxylate
CID 155233784
N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823620
2-(1-Benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine
CID 63896599
3-(1-Benzofuran-3-yl)-1,4-dimethylpyrazol-5-amine
CID 64131584
3-(1-Benzofuran-3-yl)-1-methylpyrazol-5-amine
CID 64131585
2-[5-Amino-3-(1-benzofuran-3-yl)pyrazol-1-yl]ethanol
CID 64131775
3-(1-Benzofuran-3-yl)-4-ethyl-1-methylpyrazol-5-amine
CID 64131777

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide?
The IUPAC name of N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide (CID 138052553) is N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide is COCCc1cc(NS(=O)(=O)c2coc3ccccc23)n(C)n1.
What is the InChIKey of N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide?
The InChIKey is QJTITXGGIYULTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-18-15(9-11(16-18)7-8-21-2)17-23(19,20)14-10-22-13-6-4-3-5-12(13)14/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide?
N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1-benzofuran-3-sulfonamide is sourced from PubChem (CID 138052553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).