[5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

C24H24ClF2N5O2S — CID 162670755

IUPAC[5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILES[H]N=S(N)(=O)c1cnc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)cc2C)c1Cl
InChIInChI=1S/C24H24ClF2N5O2S/c1-14-12-18(27)6-7-19(14)31-22-21(25)20(35(28,29)34)13-30-23(22)24(33)32-10-8-16(9-11-32)15-2-4-17(26)5-3-15/h2-7,12-13,16,31H,8-11H2,1H3,(H3,28,29,34)
InChIKeyVYFTZJLWNYFYDX-UHFFFAOYSA-N
MW520.01 g/mol
LogP5.36
Rot. Bonds5

About [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

[5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 162670755) has the molecular formula C24H24ClF2N5O2S and a molecular weight of 520.01 g/mol. Its IUPAC name is [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID162670755
Molecular FormulaC24H24ClF2N5O2S
Molecular Weight520.01 g/mol
Exact Mass519.13
IUPAC Name[5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILES[H]N=S(N)(=O)c1cnc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)cc2C)c1Cl
InChIInChI=1S/C24H24ClF2N5O2S/c1-14-12-18(27)6-7-19(14)31-22-21(25)20(35(28,29)34)13-30-23(22)24(33)32-10-8-16(9-11-32)15-2-4-17(26)5-3-15/h2-7,12-13,16,31H,8-11H2,1H3,(H3,28,29,34)
InChIKeyVYFTZJLWNYFYDX-UHFFFAOYSA-N
XLogP5.36
TPSA112.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.01
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methyl-4-nitroanilino)pyridine-2-sulfonamide
CID 118412635
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412752
4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide
CID 118412514
[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412207
[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
2-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonylamino]-N,N-dimethylacetamide
CID 118412301
[4-(4-chloro-2-methylanilino)-5-methyl-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412266
4-(2,5-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonic acid
CID 118412792
1-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]-3-propylurea
CID 118412786
tert-butyl 4-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]piperazine-1-carboxylate
CID 118412537

Frequently Asked Questions

What is the IUPAC name of [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (CID 162670755) is [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is [H]N=S(N)(=O)c1cnc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)cc2C)c1Cl.
What is the InChIKey of [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is VYFTZJLWNYFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N5O2S/c1-14-12-18(27)6-7-19(14)31-22-21(25)20(35(28,29)34)13-30-23(22)24(33)32-10-8-16(9-11-32)15-2-4-17(26)5-3-15/h2-7,12-13,16,31H,8-11H2,1H3,(H3,28,29,34).
What are the key properties of [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
[5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 520.01 g/mol, XLogP of 5.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminosulfonimidoyl)-4-chloro-3-(4-fluoro-2-methylanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 162670755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).