Methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate

HCID 3476271

基本情報

標準SMILES
COC(=O)c1sccc1S(=O)(=O)NCc1ccc2c(c1)OCO2
InChIKey
KPCLPBLTPXDOIR-UHFFFAOYSA-N
分子式
C14H13NO6S2
平均分子量
355.4 g/mol
単同位体質量
355.01842948

名称と識別子

優先名称
Methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate
IUPAC
methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate

名称と別名

927625-87-4MFCD09148354methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylatemethyl 3-{[(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl}thiophene-2-carboxylateMethyl 3-([(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl)thiophene-2-carboxylateMethyl 3-(N-(benzo[d][1,3]dioxol-5-ylmethyl)sulfamoyl)thiophene-2-carboxylatemethyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}thiophene-2-carboxylate2-thiophenecarboxylic acid, 3-[[(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl]-, methyl esterMETHYL 3-[[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]SULFONYL]THIOPHENE-2-CARBOXYLATEALBB-022909STK360665AKOS004121982
名称をさらに表示
LS-07084CS-0316855H33701methyl 3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]thiophene-2-carboxylateMethyl3-(N-(benzo[d][1,3]dioxol-5-ylmethyl)sulfamoyl)thiophene-2-carboxylate

データベース識別子

PubChem CID
3476271

物性

構造計算による物性

XLogP
2.1
極性表面積
128 Ų
水素結合供与体数
1
水素結合受容体数
8
回転可能結合数
6
重原子数
23

関連反応

4 件

関連ノート

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