N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide

C14H21FN2O3S — CID 46939268

IUPACN-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide
SMILESCC(F)CN(C)S(=O)(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H21FN2O3S/c1-12(15)11-16(2)21(18,19)14-5-3-13(4-6-14)17-7-9-20-10-8-17/h3-6,12H,7-11H2,1-2H3
InChIKeyYKOORFKLOFPPFA-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.50
Rot. Bonds5

About N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide

N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide (PubChem CID 46939268) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide
PubChem CID46939268
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide
SMILESCC(F)CN(C)S(=O)(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H21FN2O3S/c1-12(15)11-16(2)21(18,19)14-5-3-13(4-6-14)17-7-9-20-10-8-17/h3-6,12H,7-11H2,1-2H3
InChIKeyYKOORFKLOFPPFA-UHFFFAOYSA-N
XLogP1.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934
2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 94538736
4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791761
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134025746
4-bromo-N-butyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 47075351
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 134025751
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 42920355
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
N-(difluoromethyl)-4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 1189237

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide (CID 46939268) is N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide is CC(F)CN(C)S(=O)(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide?
The InChIKey is YKOORFKLOFPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-12(15)11-16(2)21(18,19)14-5-3-13(4-6-14)17-7-9-20-10-8-17/h3-6,12H,7-11H2,1-2H3.
What are the key properties of N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide?
N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 46939268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).