N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide

C18H27F3N2O4S — CID 42888442

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C18H27F3N2O4S/c1-3-14(4-2)17(23-9-11-26-12-10-23)13-22-28(24,25)16-7-5-15(6-8-16)27-18(19,20)21/h5-8,14,17,22H,3-4,9-13H2,1-2H3
InChIKeyRMGIYEGRMKSCSF-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.00
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 42888442) has the molecular formula C18H27F3N2O4S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID42888442
Molecular FormulaC18H27F3N2O4S
Molecular Weight424.49 g/mol
Exact Mass424.16
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCC(CC)C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C18H27F3N2O4S/c1-3-14(4-2)17(23-9-11-26-12-10-23)13-22-28(24,25)16-7-5-15(6-8-16)27-18(19,20)21/h5-8,14,17,22H,3-4,9-13H2,1-2H3
InChIKeyRMGIYEGRMKSCSF-UHFFFAOYSA-N
XLogP3.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-fluorobenzenesulfonamide
CID 46582731
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939114
N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 139029418
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
N-[2-methyl-3-(methylamino)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115302773
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 86986663
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 42888442) is N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide is CCC(CC)C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is RMGIYEGRMKSCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O4S/c1-3-14(4-2)17(23-9-11-26-12-10-23)13-22-28(24,25)16-7-5-15(6-8-16)27-18(19,20)21/h5-8,14,17,22H,3-4,9-13H2,1-2H3.
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 424.49 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 42888442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).