(4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate

C24H24FN3O4S — CID 174770341

IUPAC(4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESCc1c(Nc2ccccc2)ccnc1S(=O)(=O)OC(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O4S/c1-17-22(27-21-5-3-2-4-6-21)11-14-26-23(17)33(30,31)32-24(29)28-15-12-19(13-16-28)18-7-9-20(25)10-8-18/h2-11,14,19H,12-13,15-16H2,1H3,(H,26,27)
InChIKeyBYFGAFVXEDHLSN-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.98
Rot. Bonds5

About (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate

(4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 174770341) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate
PubChem CID174770341
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC Name(4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESCc1c(Nc2ccccc2)ccnc1S(=O)(=O)OC(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24FN3O4S/c1-17-22(27-21-5-3-2-4-6-21)11-14-26-23(17)33(30,31)32-24(29)28-15-12-19(13-16-28)18-7-9-20(25)10-8-18/h2-11,14,19H,12-13,15-16H2,1H3,(H,26,27)
InChIKeyBYFGAFVXEDHLSN-UHFFFAOYSA-N
XLogP4.98
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(3-methylanilino)pyridine-2-sulfonic acid
CID 118412574
4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412903
[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412730
4-(2,5-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonic acid
CID 118412792
4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide
CID 118412514
[5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-2-oxo-1-phenylmethoxy-4-pyridinyl] trifluoromethanesulfonate
CID 118431037
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide
CID 118412866
1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 44765669
N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
CID 75526156
tert-butyl 4-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]piperazine-1-carboxylate
CID 118412537
[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217

Frequently Asked Questions

What is the IUPAC name of (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate (CID 174770341) is (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate is Cc1c(Nc2ccccc2)ccnc1S(=O)(=O)OC(=O)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is BYFGAFVXEDHLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-17-22(27-21-5-3-2-4-6-21)11-14-26-23(17)33(30,31)32-24(29)28-15-12-19(13-16-28)18-7-9-20(25)10-8-18/h2-11,14,19H,12-13,15-16H2,1H3,(H,26,27).
What are the key properties of (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate?
(4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 469.54 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-3-methyl-2-pyridinyl)sulfonyl 4-(4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 174770341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).