5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide

C25H27FN4O4S — CID 118412866

IUPAC5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide
SMILESCOc1ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C25H27FN4O4S/c1-16-13-20(7-8-23(16)34-2)29-22-14-24(35(27,32)33)28-15-21(22)25(31)30-11-9-18(10-12-30)17-3-5-19(26)6-4-17/h3-8,13-15,18H,9-12H2,1-2H3,(H,28,29)(H2,27,32,33)
InChIKeyBBZXNARIGVUXDP-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.95
Rot. Bonds6

About 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide

5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide (PubChem CID 118412866) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide
PubChem CID118412866
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC Name5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide
SMILESCOc1ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C25H27FN4O4S/c1-16-13-20(7-8-23(16)34-2)29-22-14-24(35(27,32)33)28-15-21(22)25(31)30-11-9-18(10-12-30)17-3-5-19(26)6-4-17/h3-8,13-15,18H,9-12H2,1-2H3,(H,28,29)(H2,27,32,33)
InChIKeyBBZXNARIGVUXDP-UHFFFAOYSA-N
XLogP3.95
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412317
4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412903
4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide
CID 118412514
2-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonylamino]-N,N-dimethylacetamide
CID 118412301
tert-butyl 4-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]piperazine-1-carboxylate
CID 118412537
1-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 118412660
1-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]-3-propylurea
CID 118412786
[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412572
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
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(3-methylanilino)pyridine-2-sulfonic acid
CID 118412574
4-(cyclohexylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonamide
CID 118412361

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide?
The IUPAC name of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide (CID 118412866) is 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide is COc1ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide?
The InChIKey is BBZXNARIGVUXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-16-13-20(7-8-23(16)34-2)29-22-14-24(35(27,32)33)28-15-21(22)25(31)30-11-9-18(10-12-30)17-3-5-19(26)6-4-17/h3-8,13-15,18H,9-12H2,1-2H3,(H,28,29)(H2,27,32,33).
What are the key properties of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide?
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide has a molecular weight of 498.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide is sourced from PubChem (CID 118412866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).