Benzenesulfonamide, N-benzyl-

HCID 95236CAS 837-18-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(NCc1ccccc1)c1ccccc1
InChIKey
GRTPAOVVVLZLDP-UHFFFAOYSA-N
Molecular formula
C13H13NO2S
Average molar mass
247.31 g/mol
Monoisotopic mass
247.06669966

Names & identifiers

Preferred name
Benzenesulfonamide, N-benzyl-
IUPAC
N-benzylbenzenesulfonamide
English name
N-Benzylbenzenesulfonamide
Molecular formula
C13H13NO2S
Molecular weight
247.31

Names & synonyms

N-BenzylbenzenesulfonamideBenzenesulfonamide, N-benzyl-Benzenesulfonamide, N-(phenylmethyl)-AI3-30853BRN 2215451DTXSID502325312-12-00-00571 (Beilstein Handbook Reference)NSC 25016RefChem:563854DTXCID80155022635-996-1837-18-3
Show more names
N-BenzylbenzenesulphonamideN-(benzyl)benzenesulfonylamide
MFCD00092709N-(Phenylmethyl)benzenesulfonamideN-benzyl-benzenesulfonamideCHEMBL1945331N-phenylsulfonylbenzylamineN-(Benzyl)benzenesulfonamideNSC25016Maybridge1_001915

Database identifiers

CAS
837-18-3
PubChem CID
95236
DTXSID
DTXSID50232531
ChEMBL
CHEMBL1945331
EC Number
635-996-1
Nikkaji
J465.603B

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
85 · 85-86 °C
Boiling point
409.5 · 409.5±38.0 °C(Predicted)
Density
1.232 · 1.232±0.06 g/cm3(Predicted)
RTECS
9865000 · DA9865000
storage temp.
Sealed in dry,Room Temperature
pka
11.21 · 11.21±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 39 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 (100%)

Safety data

hs_code
2935909099
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesIt is applied in chemical research and as an active pharmaceutical ingredient.

Suppliers45 total

上海康恩博医药科技有限公司17510465506 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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