(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone

C16H21FN2O5S — CID 55612788

IUPAC(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C16H21FN2O5S/c1-12-11-24-9-6-19(12)16(20)14-10-13(2-3-15(14)17)25(21,22)18-4-7-23-8-5-18/h2-3,10,12H,4-9,11H2,1H3
InChIKeyKNJOAOFPASTVSW-UHFFFAOYSA-N
MW372.42 g/mol
LogP0.71
Rot. Bonds3

About (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone

(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 55612788) has the molecular formula C16H21FN2O5S and a molecular weight of 372.42 g/mol. Its IUPAC name is (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone
PubChem CID55612788
Molecular FormulaC16H21FN2O5S
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C16H21FN2O5S/c1-12-11-24-9-6-19(12)16(20)14-10-13(2-3-15(14)17)25(21,22)18-4-7-23-8-5-18/h2-3,10,12H,4-9,11H2,1H3
InChIKeyKNJOAOFPASTVSW-UHFFFAOYSA-N
XLogP0.71
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 32651804
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
tert-butyl N-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]carbamate
CID 55973425
(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55964769
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429780
4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide
CID 56862071
(4-chloro-3,5-dimethylphenyl) 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 52647847
3,4-dihydro-2H-quinolin-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2352857
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 119216310

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone (CID 55612788) is (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is KNJOAOFPASTVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O5S/c1-12-11-24-9-6-19(12)16(20)14-10-13(2-3-15(14)17)25(21,22)18-4-7-23-8-5-18/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone?
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 372.42 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 55612788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).