5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide

C27H33FN6O5S — CID 118412382

IUPAC5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccon2)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1NCCN1CCOCC1
InChIInChI=1S/C27H33FN6O5S/c1-19-25(29-9-12-33-13-16-38-17-14-33)23(18-30-26(19)40(36,37)32-24-8-15-39-31-24)27(35)34-10-6-21(7-11-34)20-2-4-22(28)5-3-20/h2-5,8,15,18,21H,6-7,9-14,16-17H2,1H3,(H,29,30)(H,31,32)
InChIKeyXEHNHJPMFXPWHD-UHFFFAOYSA-N
MW572.66 g/mol
LogP3.08
Rot. Bonds9

About 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide

5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide (PubChem CID 118412382) has the molecular formula C27H33FN6O5S and a molecular weight of 572.66 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide
PubChem CID118412382
Molecular FormulaC27H33FN6O5S
Molecular Weight572.66 g/mol
Exact Mass572.22
IUPAC Name5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccon2)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1NCCN1CCOCC1
InChIInChI=1S/C27H33FN6O5S/c1-19-25(29-9-12-33-13-16-38-17-14-33)23(18-30-26(19)40(36,37)32-24-8-15-39-31-24)27(35)34-10-6-21(7-11-34)20-2-4-22(28)5-3-20/h2-5,8,15,18,21H,6-7,9-14,16-17H2,1H3,(H,29,30)(H,31,32)
InChIKeyXEHNHJPMFXPWHD-UHFFFAOYSA-N
XLogP3.08
TPSA129.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.66
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide
CID 118412361
4-(2,5-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonic acid
CID 118412792
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(3-methylanilino)pyridine-2-sulfonic acid
CID 118412574
[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217
[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412730
1-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]-3-propylurea
CID 118412786
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412207
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412752
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methyl-4-nitroanilino)pyridine-2-sulfonamide
CID 118412635
4-(3-bromoanilino)-3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412671
[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412213
4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412903

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide?
The IUPAC name of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide (CID 118412382) is 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide is Cc1c(S(=O)(=O)Nc2ccon2)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1NCCN1CCOCC1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide?
The InChIKey is XEHNHJPMFXPWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O5S/c1-19-25(29-9-12-33-13-16-38-17-14-33)23(18-30-26(19)40(36,37)32-24-8-15-39-31-24)27(35)34-10-6-21(7-11-34)20-2-4-22(28)5-3-20/h2-5,8,15,18,21H,6-7,9-14,16-17H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide?
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide has a molecular weight of 572.66 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(2-morpholin-4-ylethylamino)-N-(1,2-oxazol-3-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118412382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).