N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride

C8H11Cl2FN2O2S — CID 86780565

IUPACN-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C8H10ClFN2O2S.ClH/c9-7-2-1-6(10)5-8(7)15(13,14)12-4-3-11;/h1-2,5,12H,3-4,11H2;1H
InChIKeyKWNOISLRZZGOMP-UHFFFAOYSA-N
MW289.16 g/mol
LogP1.14
Rot. Bonds4

About N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride (PubChem CID 86780565) has the molecular formula C8H11Cl2FN2O2S and a molecular weight of 289.16 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
PubChem CID86780565
Molecular FormulaC8H11Cl2FN2O2S
Molecular Weight289.16 g/mol
Exact Mass287.99
IUPAC NameN-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C8H10ClFN2O2S.ClH/c9-7-2-1-6(10)5-8(7)15(13,14)12-4-3-11;/h1-2,5,12H,3-4,11H2;1H
InChIKeyKWNOISLRZZGOMP-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
2-chloro-5-fluoro-N-(6-iodohexyl)benzenesulfonamide
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N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
CID 126574745
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
CID 105400574
N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400004
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105399556
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride (CID 86780565) is N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is KWNOISLRZZGOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S.ClH/c9-7-2-1-6(10)5-8(7)15(13,14)12-4-3-11;/h1-2,5,12H,3-4,11H2;1H.
What are the key properties of N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 289.16 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 86780565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).