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

C13H17FN2O4S — CID 110710175

IUPAC4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CN(C)C(=O)CO1
InChIInChI=1S/C13H17FN2O4S/c1-9-5-10(14)3-4-12(9)21(18,19)15-6-11-7-16(2)13(17)8-20-11/h3-5,11,15H,6-8H2,1-2H3
InChIKeyQGGBGKALYBWOLQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.27
Rot. Bonds4

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

4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 110710175) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID110710175
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CN(C)C(=O)CO1
InChIInChI=1S/C13H17FN2O4S/c1-9-5-10(14)3-4-12(9)21(18,19)15-6-11-7-16(2)13(17)8-20-11/h3-5,11,15H,6-8H2,1-2H3
InChIKeyQGGBGKALYBWOLQ-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-fluoro-3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710174
1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide
CID 110710197
4-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710163
2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710173
3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710191
4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
CID 110716981
2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710219
2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367262
4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110726023
5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 131952010
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide
CID 110710159

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (CID 110710175) is 4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC1CN(C)C(=O)CO1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is QGGBGKALYBWOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-9-5-10(14)3-4-12(9)21(18,19)15-6-11-7-16(2)13(17)8-20-11/h3-5,11,15H,6-8H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
4-fluoro-2-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-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110710175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).