3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C12H16ClFN2O3S — CID 697764

IUPAC3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O3S/c13-11-9-10(1-2-12(11)14)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8H2
InChIKeyJZHYXWSVIUVSLX-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.09
Rot. Bonds5

About 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 697764) has the molecular formula C12H16ClFN2O3S and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID697764
Molecular FormulaC12H16ClFN2O3S
Molecular Weight322.79 g/mol
Exact Mass322.06
IUPAC Name3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O3S/c13-11-9-10(1-2-12(11)14)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8H2
InChIKeyJZHYXWSVIUVSLX-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 42267989
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892691
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide
CID 18893217
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
3-chloro-4-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122321698
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide
CID 64608502
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide
CID 46582731

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 697764) is 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is JZHYXWSVIUVSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3S/c13-11-9-10(1-2-12(11)14)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8H2.
What are the key properties of 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 322.79 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 697764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).