N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide

HCID 2773944

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 387350-79-0
標準SMILES: O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1
InChIKey: NQBHDSLGAKITFX-UHFFFAOYSA-N
分子式: C15H19F3N2O2S
平均分子量: 348.4 g/mol
単同位体質量: 348.11193351

名称と識別子

優先名称: N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
IUPAC: N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
英語名: N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
分子式: C15H19F3N2O2S
分子量: 348.38

名称と別名

N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamideRefChem:829730671-756-2387350-79-0N-Cyclopropyl-N-(4-piperidinyl)-3-(trifluoromethyl)benzenesulfonamideN-cyclopropyl-N-(piperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamideMFCD01568000n-cyclopropyl-n-(piperidin-4-yl)-3-(trifluoromethyl)benzenesulphonamideN-cyclopropyl-N-(piperidin-4-yl)-3-(trifluoromethyl)benzene-1-sulfonamidePeakdale1_001258C15H19F3N2O2SSCHEMBL3485825

名称をさらに表示

Benzenesulfonamide, N-cyclopropyl-N-4-piperidinyl-3-(trifluoromethyl)-N-Cyclopropyl-N-(piperidin-4-yl)-3-(trifluoromethyl)benzenesulphonamide 95+%

SCHEMBL3958286HMS521J04DTXSID30378789AKOS015840782PS-7000ST51041756F010570SR-01000387773

データベース識別子

CAS: 387350-79-0
PubChem CID: 2773944
DTXSID: DTXSID30378789
EC Number: 671-756-2

物性

構造計算による物性

XLogP: 2.6
極性表面積: 57.8 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 23
形式電荷: 0
複雑度: 508

物理化学的性質

融点: 195 °C · >195°C
沸点: 437.9 · 437.9±55.0 °C(Predicted)
比重(密度): 1.39 · 1.39±0.1 g/cm3(Predicted)
酸解離定数(Pka): 9.67 · 9.67±0.10(Predicted)

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 2 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.