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

C14H21FN2O5S2 — CID 110345672

IUPAC4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1C
InChIInChI=1S/C14H21FN2O5S2/c1-11-9-13(15)3-4-14(11)24(20,21)16-5-8-23(18,19)17-6-7-22-10-12(17)2/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyGXMNPPADUXBBPD-UHFFFAOYSA-N
MW380.46 g/mol
LogP0.46
Rot. Bonds6

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

4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide (PubChem CID 110345672) has the molecular formula C14H21FN2O5S2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
PubChem CID110345672
Molecular FormulaC14H21FN2O5S2
Molecular Weight380.46 g/mol
Exact Mass380.09
IUPAC Name4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1C
InChIInChI=1S/C14H21FN2O5S2/c1-11-9-13(15)3-4-14(11)24(20,21)16-5-8-23(18,19)17-6-7-22-10-12(17)2/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyGXMNPPADUXBBPD-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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Related Compounds

5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345680
5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345679
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689
N-[2-(1,3-dioxan-2-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110370153
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
CID 107326726
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide
CID 110345658
N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102920370
2,4-difluoro-5-methyl-N-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 97310141
N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 113053722
4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
CID 110716981
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide (CID 110345672) is 4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The InChIKey is GXMNPPADUXBBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O5S2/c1-11-9-13(15)3-4-14(11)24(20,21)16-5-8-23(18,19)17-6-7-22-10-12(17)2/h3-4,9,12,16H,5-8,10H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(3-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-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 110345672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).