4-アミノ-N-(1H-インダゾール-6-イル)ベンゼンスルホンアミド

4-Amino-N-1H-indazol-6-ylbenzenesulfonamide

HCID 83696CAS 13744-68-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIKey: RLNLIVBLEZDLMZ-UHFFFAOYSA-N
分子式: C13H12N4O2S
平均分子量: 288.33 g/mol
単同位体質量: 288.06809681

名称と識別子

優先名称: 4-Amino-N-1H-indazol-6-ylbenzenesulfonamide
IUPAC: 4-amino-N-(1H-indazol-6-yl)benzenesulfonamide
現地名: 4-アミノ-N-(1H-インダゾール-6-イル)ベンゼンスルホンアミド
英語名: 6-Sulfanilamidoindazole
分子式: C13H12N4O2S
分子量: 288.33

名称と別名

6-Sulfanilamidoindazole13744-68-8Benzenesulfonamide, 4-amino-N-1H-indazol-6-yl-4-Amino-N-1H-indazol-6-ylbenzenesulfonamideNSC-14072143XC2TRN2RDTXSID50160183RefChem:544323DTXCID8082674237-314-44-amino-n-(1h-indazol-6-yl)benzenesulfonamide6-(Sulfanilamido)indazole

名称をさらに表示

6-スルファニルアミドインダゾール4-アミノ-N-(1H-インダゾール-6-イル)ベンゼンスルホンアミド4-アミノ-N-(1H-インダゾール-6-イル)-ベンゼンスルホンアミドN'-(1H-インダゾール-6-イル)スルファニルアミドN′-(1H-インダゾール-6-イル)スルファニルアミド4-アミノ-N-(1H-インダゾール-6-イル)ベンゼン-1-スルホンアミドN-(1H-インダゾール-6-イル)-4-アミノベンゼンスルホンアミドTIMTEC-BB SBB001179N1-(6-INDAZOLYL)SULFANILAMIDEN'-(1H-Indazol-6-yl)sulfanilamideN(sup 1)-(6-indazolyl)sulfanilamideNY-(6-INDAZOLYL)SULFANILAMIDE M.P. 193-195OCN1-(6-Indazolyl)sulfanilamide

Sulfanilamide, N1-1H-indazol-6-yl-6-(p-Aminobenzenesulfonylamino)indazole4-amino-N-(1H-indazol-6-yl)benzene-1-sulfonamide1H-indazol-6-yl[(4-aminophenyl)sulfonyl]amineEINECS 237-314-4NSC 140721N-(Indazol-6-yl)-4-aminobenzenesulphonamide4-amino-N-(1H-indazol-6-yl)-benzenesulfonamide

データベース識別子

CAS: 13744-68-8
PubChem CID: 83696
DTXSID: DTXSID50160183
UNII: 43XC2TRN2R
EC Number: 237-314-4
Nikkaji: J278.023B

物性

構造計算による物性

XLogP: 2.1
極性表面積: 109 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 20
形式電荷: 0
複雑度: 428

物理化学的性質

融点: 193 · 193-195 °C(lit.)
沸点: 581.1 · 581.1±56.0 °C(Predicted)
比重(密度): 1.546 · 1.546±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.77 · 8.77±0.30(Predicted)
InChI: 1S/C13H12N4O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,14H2,(H,15,16)
InChIKey: RLNLIVBLEZDLMZ-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)S(=O)(=O)Nc2ccc3cn[nH]c3c2

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
rtecs: DA9510332
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

一般的な説明N1-(6-Indazolyl)sulfanilamide ( 6-Sulfanilamidoindazole) causes inflammation in the hind paws and ankles of older rat and sensitizes them to the lethal action of endotoxin.

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