4-(Piperazin-1-yl)benzene-1-sulfonamide

HCID 901897

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Basic information

CAS: 121278-31-7
Standard SMILES: NS(=O)(=O)c1ccc(N2CCNCC2)cc1
InChIKey: UGGDHKASBRILQW-UHFFFAOYSA-N
Molecular formula: C10H15N3O2S
Average molar mass: 241.31 g/mol
Monoisotopic mass: 241.08849772

Names & identifiers

Preferred name: 4-(Piperazin-1-yl)benzene-1-sulfonamide
IUPAC: 4-piperazin-1-ylbenzenesulfonamide
English name: BenzenesulfonaMide, 4-(1-piperazinyl)-
Molecular formula: C10H15N3O2S
Molecular weight: 241.31

Names & synonyms

170856-87-84-(piperazin-1-yl)benzene-1-sulfonamideRefChem:516635886-661-34-(Piperazin-1-yl)benzenesulfonamide121278-31-74-piperazin-1-ylbenzenesulfonamide4-(1-piperazinyl)benzenesulfonamideMFCD01928044Benzenesulfonamide, 4-(1-piperazinyl)-4-(piperazin-1-yl)-benzenesulfonamidePiperazine moiety, 4

Show more names

4-Piperazinobenzenesulfonamide4-Piperazinyl Benzenesulfonamide(WX604494)

Oprea1_731187AJ-333/09218004MLS000704611SCHEMBL4518266CHEMBL1500906BDBM84664DTXSID60358539UGGDHKASBRILQW-UHFFFAOYSA-N

Database identifiers

CAS: 121278-31-7、170856-87-8
PubChem CID: 901897
DTXSID: DTXSID60358539
ChEMBL: CHEMBL1500906
EC Number: 886-661-3
Nikkaji: J1.641.734C

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 83.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 311

Physicochemical properties

Melting point: 210 · 210-211℃ (methanol )
Boiling point: 475.4 · 475.4±55.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 10.74 · 10.74±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P