4-Bromo-N-(2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide

HCID 4033090CAS 209968-27-4
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Basic information

Standard SMILES
O=S(=O)(NCCN1CCCC1)c1ccc(Br)cc1
InChIKey
DIYRIYJMMLUTQP-UHFFFAOYSA-N
Molecular formula
C12H17BrN2O2S
Average molar mass
333.25 g/mol
Monoisotopic mass
332.01941088

Names & identifiers

Preferred name
4-Bromo-N-(2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide
IUPAC
4-bromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
English name
BenzenesulfonaMide, 4-broMo-N-[2-(1-pyrrolidinyl)ethyl]-
Molecular formula
C12H17BrN2O2S
Molecular weight
333.24

Names & synonyms

209968-27-44-Bromo-N-(2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide4-bromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamideCHEMBL81360MFCD025566114-Bromo-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide4-bromo-N-[2-(pyrrolidin-1-yl)ethyl]benzenesulfonamideBenzenesulfonaMide, 4-broMo-N-[2-(1-pyrrolidinyl)ethyl]-MLS001183628SCHEMBL270734DTXSID90398660DIYRIYJMMLUTQP-UHFFFAOYSA-N
Show more names
HMS2837C23BDBM50065133STK001973AKOS005374409SMR000502806DB-367619CS-0360318E87405

Database identifiers

CAS
209968-27-4
PubChem CID
4033090
DTXSID
DTXSID90398660
ChEMBL
CHEMBL81360

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
57.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
18

Experimental & physicochemical properties

Solubility46.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Boiling point
437.4 · 437.4±55.0 °C(Predicted)
Density
1.458 · 1.458±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
9.38 · 9.38±0.50(Predicted)
HS Code
2904100090 · 2904100090

Safety & regulation

Safety data

hs_code
2904100090

Chemistry & industry

Upstream & downstream products

Suppliers3 total

南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]

Related reactions

15 records
New reaction record

Linked notes

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