3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide

C17H26ClFN2O3S — CID 46582731

IUPAC3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H26ClFN2O3S/c1-3-13(4-2)17(21-7-9-24-10-8-21)12-20-25(22,23)14-5-6-16(19)15(18)11-14/h5-6,11,13,17,20H,3-4,7-10,12H2,1-2H3
InChIKeyILQVTVDXJMLKPS-UHFFFAOYSA-N
MW392.92 g/mol
LogP2.89
Rot. Bonds8

About 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide

3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide (PubChem CID 46582731) has the molecular formula C17H26ClFN2O3S and a molecular weight of 392.92 g/mol. Its IUPAC name is 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide
PubChem CID46582731
Molecular FormulaC17H26ClFN2O3S
Molecular Weight392.92 g/mol
Exact Mass392.13
IUPAC Name3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H26ClFN2O3S/c1-3-13(4-2)17(21-7-9-24-10-8-21)12-20-25(22,23)14-5-6-16(19)15(18)11-14/h5-6,11,13,17,20H,3-4,7-10,12H2,1-2H3
InChIKeyILQVTVDXJMLKPS-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.92
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 55598693
4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 46582725
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 42888442
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 110403316
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43074811
3,4-difluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42891982
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 42938556

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide (CID 46582731) is 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide is CCC(CC)C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide?
The InChIKey is ILQVTVDXJMLKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClFN2O3S/c1-3-13(4-2)17(21-7-9-24-10-8-21)12-20-25(22,23)14-5-6-16(19)15(18)11-14/h5-6,11,13,17,20H,3-4,7-10,12H2,1-2H3.
What are the key properties of 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide?
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide has a molecular weight of 392.92 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 46582731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).