N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide

C15H21FN2O3S — CID 900499

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-22(20,21)18(14-8-6-7-13(16)11-14)12-15(19)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3
InChIKeyAUERXTGWQGOCHV-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.99
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide (PubChem CID 900499) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
PubChem CID900499
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-22(20,21)18(14-8-6-7-13(16)11-14)12-15(19)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3
InChIKeyAUERXTGWQGOCHV-UHFFFAOYSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenylacetylglycine Dimethylamide
CID 19536
N-(2-Morpholin-4-yl-2-oxo-ethyl)-N-phenyl-methanesulfonamide
CID 785142
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)methanesulfonamide
CID 815970
N-(3-Fluoro-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 894067
2-(Cyclohexyl-methanesulfonyl-amino)-N-(2,4-difluoro-phenyl)-acetamide
CID 954246
N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 964121
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 973770
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-o-tolyl-methanesulfonamide
CID 2898569
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 3154525
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide
CID 645207

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide (CID 900499) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The InChIKey is AUERXTGWQGOCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-22(20,21)18(14-8-6-7-13(16)11-14)12-15(19)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 900499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).