2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide

C12H17ClFN3O2S — CID 115752213

IUPAC2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFN3O2S/c13-11-2-1-10(14)9-12(11)20(18,19)16-5-8-17-6-3-15-4-7-17/h1-2,9,15-16H,3-8H2
InChIKeySWGMFSDBHMIPRT-UHFFFAOYSA-N
MW321.81 g/mol
LogP0.66
Rot. Bonds5

About 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide

2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 115752213) has the molecular formula C12H17ClFN3O2S and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID115752213
Molecular FormulaC12H17ClFN3O2S
Molecular Weight321.81 g/mol
Exact Mass321.07
IUPAC Name2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFN3O2S/c13-11-2-1-10(14)9-12(11)20(18,19)16-5-8-17-6-3-15-4-7-17/h1-2,9,15-16H,3-8H2
InChIKeySWGMFSDBHMIPRT-UHFFFAOYSA-N
XLogP0.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
2,6-dichloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999799
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599807
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2-bromo-4-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 60824052
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518
2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966401
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707517
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide (CID 115752213) is 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCNCC1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is SWGMFSDBHMIPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O2S/c13-11-2-1-10(14)9-12(11)20(18,19)16-5-8-17-6-3-15-4-7-17/h1-2,9,15-16H,3-8H2.
What are the key properties of 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 321.81 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 115752213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).