4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide

C14H21FN2O5S2 — CID 110345553

IUPAC4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCOC(C)C2)ccc1F
InChIInChI=1S/C14H21FN2O5S2/c1-11-9-13(3-4-14(11)15)24(20,21)16-5-8-23(18,19)17-6-7-22-12(2)10-17/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyPNKHPQOGSLFPNL-UHFFFAOYSA-N
MW380.46 g/mol
LogP0.46
Rot. Bonds6

About 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide

4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide (PubChem CID 110345553) has the molecular formula C14H21FN2O5S2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
PubChem CID110345553
Molecular FormulaC14H21FN2O5S2
Molecular Weight380.46 g/mol
Exact Mass380.09
IUPAC Name4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCOC(C)C2)ccc1F
InChIInChI=1S/C14H21FN2O5S2/c1-11-9-13(3-4-14(11)15)24(20,21)16-5-8-23(18,19)17-6-7-22-12(2)10-17/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyPNKHPQOGSLFPNL-UHFFFAOYSA-N
XLogP0.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide (CID 110345553) is 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCOC(C)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The InChIKey is PNKHPQOGSLFPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O5S2/c1-11-9-13(3-4-14(11)15)24(20,21)16-5-8-23(18,19)17-6-7-22-12(2)10-17/h3-4,9,12,16H,5-8,10H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide has a molecular weight of 380.46 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 110345553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).