3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide

C17H24FN3O4S — CID 120931129

IUPAC3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O4S/c1-12-16(19-7-9-25-12)17(22)21-8-3-5-14(11-21)20-26(23,24)15-6-2-4-13(18)10-15/h2,4,6,10,12,14,16,19-20H,3,5,7-9,11H2,1H3/t12-,14?,16+/m1/s1
InChIKeyWRCUCWLUBXVSAZ-LGKIWNRFSA-N
MW385.46 g/mol
LogP0.47
Rot. Bonds4

About 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide

3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide (PubChem CID 120931129) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide
PubChem CID120931129
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC Name3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O4S/c1-12-16(19-7-9-25-12)17(22)21-8-3-5-14(11-21)20-26(23,24)15-6-2-4-13(18)10-15/h2,4,6,10,12,14,16,19-20H,3,5,7-9,11H2,1H3/t12-,14?,16+/m1/s1
InChIKeyWRCUCWLUBXVSAZ-LGKIWNRFSA-N
XLogP0.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119774617
3-fluoro-N-[1-(2-methyl-3-phenylsulfanylpropanoyl)piperidin-3-yl]benzenesulfonamide
CID 86935365
1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea
CID 120929396
3-fluoro-N-(1-hexa-2,4-dienoylpiperidin-3-yl)benzenesulfonamide
CID 72687865
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
CID 119921741
3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide
CID 138997785
N-[1-(7-bromo-2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 167792897
N-[1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 72687849
1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 120920419
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide (CID 120931129) is 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide is C[C@H]1OCCN[C@@H]1C(=O)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide?
The InChIKey is WRCUCWLUBXVSAZ-LGKIWNRFSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-12-16(19-7-9-25-12)17(22)21-8-3-5-14(11-21)20-26(23,24)15-6-2-4-13(18)10-15/h2,4,6,10,12,14,16,19-20H,3,5,7-9,11H2,1H3/t12-,14?,16+/m1/s1.
What are the key properties of 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide?
3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 120931129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).