1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide

C16H25FN2O3S — CID 51339738

IUPAC1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H25FN2O3S/c1-13(2)16(19-7-9-22-10-8-19)11-18-23(20,21)12-14-3-5-15(17)6-4-14/h3-6,13,16,18H,7-12H2,1-2H3
InChIKeyZYUKYOFJSSACKS-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.60
Rot. Bonds7

About 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide

1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide (PubChem CID 51339738) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide
PubChem CID51339738
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H25FN2O3S/c1-13(2)16(19-7-9-22-10-8-19)11-18-23(20,21)12-14-3-5-15(17)6-4-14/h3-6,13,16,18H,7-12H2,1-2H3
InChIKeyZYUKYOFJSSACKS-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide (CID 51339738) is 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide is CC(C)C(CNS(=O)(=O)Cc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide?
The InChIKey is ZYUKYOFJSSACKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-13(2)16(19-7-9-22-10-8-19)11-18-23(20,21)12-14-3-5-15(17)6-4-14/h3-6,13,16,18H,7-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide has a molecular weight of 344.45 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)methanesulfonamide is sourced from PubChem (CID 51339738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).