N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide

C15H20F2N2O4S — CID 53287648

IUPACN-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O4S/c1-24(21,22)19(12-4-5-13(16)14(17)11-12)6-2-3-15(20)18-7-9-23-10-8-18/h4-5,11H,2-3,6-10H2,1H3
InChIKeySPJURZSAMWCPLP-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.37
Rot. Bonds6

About N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide

N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide (PubChem CID 53287648) has the molecular formula C15H20F2N2O4S and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
PubChem CID53287648
Molecular FormulaC15H20F2N2O4S
Molecular Weight362.40 g/mol
Exact Mass362.11
IUPAC NameN-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O4S/c1-24(21,22)19(12-4-5-13(16)14(17)11-12)6-2-3-15(20)18-7-9-23-10-8-18/h4-5,11H,2-3,6-10H2,1H3
InChIKeySPJURZSAMWCPLP-UHFFFAOYSA-N
XLogP1.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 6499007
N-(4-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53286652
N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286809
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-N-(4-fluorophenyl)methanesulfonamide
CID 21368273
N-(2-methoxyphenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 53288568
N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113144245
N-[4-[methylsulfonyl-(3-morpholin-4-yl-3-oxopropyl)amino]phenyl]acetamide
CID 113145513
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 6500029
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
N-(3,4-difluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157684

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide (CID 53287648) is N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide is CS(=O)(=O)N(CCCC(=O)N1CCOCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
The InChIKey is SPJURZSAMWCPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4S/c1-24(21,22)19(12-4-5-13(16)14(17)11-12)6-2-3-15(20)18-7-9-23-10-8-18/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide?
N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide has a molecular weight of 362.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide is sourced from PubChem (CID 53287648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).