4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide

C13H17FN2O4S — CID 110710174

IUPAC4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CN(C)C(=O)CO2)ccc1F
InChIInChI=1S/C13H17FN2O4S/c1-9-5-11(3-4-12(9)14)21(18,19)15-6-10-7-16(2)13(17)8-20-10/h3-5,10,15H,6-8H2,1-2H3
InChIKeyINYZJSCMRFTNFM-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.27
Rot. Bonds4

About 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide

4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 110710174) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID110710174
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CN(C)C(=O)CO2)ccc1F
InChIInChI=1S/C13H17FN2O4S/c1-9-5-11(3-4-12(9)14)21(18,19)15-6-10-7-16(2)13(17)8-20-10/h3-5,10,15H,6-8H2,1-2H3
InChIKeyINYZJSCMRFTNFM-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710163
3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710191
4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710175
2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710173
1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide
CID 110710197
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide
CID 110710159
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989
2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710219
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 99645862
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367600
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzenesulfonamide
CID 110367909

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (CID 110710174) is 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCC2CN(C)C(=O)CO2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is INYZJSCMRFTNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-9-5-11(3-4-12(9)14)21(18,19)15-6-10-7-16(2)13(17)8-20-10/h3-5,10,15H,6-8H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110710174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).