4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide

C25H26ClFN4O3S — CID 118412903

IUPAC4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
SMILESCc1c(Cl)ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C25H26ClFN4O3S/c1-15-16(2)22(8-7-21(15)26)30-23-13-24(35(28,33)34)29-14-20(23)25(32)31-11-9-18(10-12-31)17-3-5-19(27)6-4-17/h3-8,13-14,18H,9-12H2,1-2H3,(H,29,30)(H2,28,33,34)
InChIKeyJPTCXQRXENFOKC-UHFFFAOYSA-N
MW517.03 g/mol
LogP4.90
Rot. Bonds5

About 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide

4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide (PubChem CID 118412903) has the molecular formula C25H26ClFN4O3S and a molecular weight of 517.03 g/mol. Its IUPAC name is 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
PubChem CID118412903
Molecular FormulaC25H26ClFN4O3S
Molecular Weight517.03 g/mol
Exact Mass516.14
IUPAC Name4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
SMILESCc1c(Cl)ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C25H26ClFN4O3S/c1-15-16(2)22(8-7-21(15)26)30-23-13-24(35(28,33)34)29-14-20(23)25(32)31-11-9-18(10-12-31)17-3-5-19(27)6-4-17/h3-8,13-14,18H,9-12H2,1-2H3,(H,29,30)(H2,28,33,34)
InChIKeyJPTCXQRXENFOKC-UHFFFAOYSA-N
XLogP4.90
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.03
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide
CID 118412514
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide
CID 118412866
[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-sulfonamide
CID 118412752
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
[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412213
1-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]-3-propylurea
CID 118412786
1-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 118412660
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methyl-4-nitroanilino)pyridine-2-sulfonamide
CID 118412635
[4-(2-chloro-5-fluoroanilino)-5-methyl-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412235

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The IUPAC name of 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide (CID 118412903) is 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide is Cc1c(Cl)ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The InChIKey is JPTCXQRXENFOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O3S/c1-15-16(2)22(8-7-21(15)26)30-23-13-24(35(28,33)34)29-14-20(23)25(32)31-11-9-18(10-12-31)17-3-5-19(27)6-4-17/h3-8,13-14,18H,9-12H2,1-2H3,(H,29,30)(H2,28,33,34).
What are the key properties of 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide has a molecular weight of 517.03 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide is sourced from PubChem (CID 118412903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).