2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide

C9H12ClFN2O2S — CID 115752308

IUPAC2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H12ClFN2O2S/c1-12-4-5-13-16(14,15)9-6-7(11)2-3-8(9)10/h2-3,6,12-13H,4-5H2,1H3
InChIKeyUBHVLCBNOBCPAW-UHFFFAOYSA-N
MW266.73 g/mol
LogP0.98
Rot. Bonds5

About 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide

2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 115752308) has the molecular formula C9H12ClFN2O2S and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID115752308
Molecular FormulaC9H12ClFN2O2S
Molecular Weight266.73 g/mol
Exact Mass266.03
IUPAC Name2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H12ClFN2O2S/c1-12-4-5-13-16(14,15)9-6-7(11)2-3-8(9)10/h2-3,6,12-13H,4-5H2,1H3
InChIKeyUBHVLCBNOBCPAW-UHFFFAOYSA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973114
2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 62656822
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-chloro-5-fluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107849069
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400004
5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708720
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 115752308) is 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is UBHVLCBNOBCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2S/c1-12-4-5-13-16(14,15)9-6-7(11)2-3-8(9)10/h2-3,6,12-13H,4-5H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide?
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 266.73 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 115752308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).