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

HCID 2773944CAS 387350-79-0

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Grundinformationen

Standard-SMILES: O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1
InChIKey: NQBHDSLGAKITFX-UHFFFAOYSA-N
Summenformel: C15H19F3N2O2S
Durchschnittliche Molmasse: 348,4 g/mol
Monoisotopische Masse: 348,11193351

Namen und Bezeichner

Bevorzugter Name: N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
IUPAC: N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
Englischer Name: N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
Summenformel: C15H19F3N2O2S
Molmasse: 348.38

Namen und Synonyme

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

Weitere Namen anzeigen

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

SCHEMBL3958286HMS521J04DTXSID30378789AKOS015840782PS-7000ST51041756F010570SR-01000387773

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 57,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 4
Schwere Atome: 23
Formalladung: 0
Komplexität: 508

Physikochemische Eigenschaften

Schmelzpunkt: 195 °C · >195°C
Siedepunkt: 437.9 · 437.9±55.0 °C(Predicted)
Dichte: 1.39 · 1.39±0.1 g/cm3(Predicted)
pka: 9.67 · 9.67±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.