4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide

C16H25FN2O3S — CID 42888778

IUPAC4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCC(C)CC(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H25FN2O3S/c1-13(2)11-15(19-7-9-22-10-8-19)12-18-23(20,21)16-5-3-14(17)4-6-16/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyJNUTZSAOOUKXBS-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.85
Rot. Bonds7

About 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide

4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide (PubChem CID 42888778) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
PubChem CID42888778
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
SMILESCC(C)CC(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H25FN2O3S/c1-13(2)11-15(19-7-9-22-10-8-19)12-18-23(20,21)16-5-3-14(17)4-6-16/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyJNUTZSAOOUKXBS-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide (CID 42888778) is 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide is CC(C)CC(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
The InChIKey is JNUTZSAOOUKXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-13(2)11-15(19-7-9-22-10-8-19)12-18-23(20,21)16-5-3-14(17)4-6-16/h3-6,13,15,18H,7-12H2,1-2H3.
What are the key properties of 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide?
4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide has a molecular weight of 344.45 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide is sourced from PubChem (CID 42888778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).