N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide

C20H34FN3O3S — CID 70938900

IUPACN-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide
SMILESCC1CN(c2cc(F)ccc2NCCCCCNS(=O)(=O)C(C)C)CC(C)O1
InChIInChI=1S/C20H34FN3O3S/c1-15(2)28(25,26)23-11-7-5-6-10-22-19-9-8-18(21)12-20(19)24-13-16(3)27-17(4)14-24/h8-9,12,15-17,22-23H,5-7,10-11,13-14H2,1-4H3
InChIKeyQVGMJYNQPYPXKJ-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.35
Rot. Bonds10

About N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide

N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide (PubChem CID 70938900) has the molecular formula C20H34FN3O3S and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide
PubChem CID70938900
Molecular FormulaC20H34FN3O3S
Molecular Weight415.58 g/mol
Exact Mass415.23
IUPAC NameN-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide
SMILESCC1CN(c2cc(F)ccc2NCCCCCNS(=O)(=O)C(C)C)CC(C)O1
InChIInChI=1S/C20H34FN3O3S/c1-15(2)28(25,26)23-11-7-5-6-10-22-19-9-8-18(21)12-20(19)24-13-16(3)27-17(4)14-24/h8-9,12,15-17,22-23H,5-7,10-11,13-14H2,1-4H3
InChIKeyQVGMJYNQPYPXKJ-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide (CID 70938900) is N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide is CC1CN(c2cc(F)ccc2NCCCCCNS(=O)(=O)C(C)C)CC(C)O1.
What is the InChIKey of N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide?
The InChIKey is QVGMJYNQPYPXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34FN3O3S/c1-15(2)28(25,26)23-11-7-5-6-10-22-19-9-8-18(21)12-20(19)24-13-16(3)27-17(4)14-24/h8-9,12,15-17,22-23H,5-7,10-11,13-14H2,1-4H3.
What are the key properties of N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide?
N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide has a molecular weight of 415.58 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 70938900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).