4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride

C16H23ClFN3O4S — CID 119732712

IUPAC4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O4S.ClH/c17-12-1-3-14(4-2-12)25(22,23)19-13-5-8-20(9-6-13)16(21)15-11-18-7-10-24-15;/h1-4,13,15,18-19H,5-11H2;1H
InChIKeyFKAOJXQJZDJBHS-UHFFFAOYSA-N
MW407.90 g/mol
LogP0.51
Rot. Bonds4

About 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride

4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride (PubChem CID 119732712) has the molecular formula C16H23ClFN3O4S and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
PubChem CID119732712
Molecular FormulaC16H23ClFN3O4S
Molecular Weight407.90 g/mol
Exact Mass407.11
IUPAC Name4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCl.O=C(C1CNCCO1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O4S.ClH/c17-12-1-3-14(4-2-12)25(22,23)19-13-5-8-20(9-6-13)16(21)15-11-18-7-10-24-15;/h1-4,13,15,18-19H,5-11H2;1H
InChIKeyFKAOJXQJZDJBHS-UHFFFAOYSA-N
XLogP0.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-morpholin-2-ylmethanone
CID 119696011
4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 94091179
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566010
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119887901
[4-(2,4-difluorophenoxy)piperidin-1-yl]-morpholin-2-ylmethanone
CID 119736591
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 119732695
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
[1-(morpholine-2-carbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119699768
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119678332
4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119930553

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride (CID 119732712) is 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride is Cl.O=C(C1CNCCO1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The InChIKey is FKAOJXQJZDJBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4S.ClH/c17-12-1-3-14(4-2-12)25(22,23)19-13-5-8-20(9-6-13)16(21)15-11-18-7-10-24-15;/h1-4,13,15,18-19H,5-11H2;1H.
What are the key properties of 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119732712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).