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

C23H20ClF3N4O3S — CID 118412752

IUPAC3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C23H20ClF3N4O3S/c24-20-21(30-19-6-5-16(26)11-18(19)27)17(12-29-22(20)35(28,33)34)23(32)31-9-7-14(8-10-31)13-1-3-15(25)4-2-13/h1-6,11-12,14H,7-10H2,(H,29,30)(H2,28,33,34)
InChIKeyNJTVDUBGRSBIMP-UHFFFAOYSA-N
MW524.95 g/mol
LogP4.56
Rot. Bonds5

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

3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide (PubChem CID 118412752) has the molecular formula C23H20ClF3N4O3S and a molecular weight of 524.95 g/mol. Its IUPAC name is 3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
PubChem CID118412752
Molecular FormulaC23H20ClF3N4O3S
Molecular Weight524.95 g/mol
Exact Mass524.09
IUPAC Name3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C23H20ClF3N4O3S/c24-20-21(30-19-6-5-16(26)11-18(19)27)17(12-29-22(20)35(28,33)34)23(32)31-9-7-14(8-10-31)13-1-3-15(25)4-2-13/h1-6,11-12,14H,7-10H2,(H,29,30)(H2,28,33,34)
InChIKeyNJTVDUBGRSBIMP-UHFFFAOYSA-N
XLogP4.56
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.95
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The IUPAC name of 3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide (CID 118412752) is 3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide is NS(=O)(=O)c1ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(Nc2ccc(F)cc2F)c1Cl.
What is the InChIKey of 3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The InChIKey is NJTVDUBGRSBIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O3S/c24-20-21(30-19-6-5-16(26)11-18(19)27)17(12-29-22(20)35(28,33)34)23(32)31-9-7-14(8-10-31)13-1-3-15(25)4-2-13/h1-6,11-12,14H,7-10H2,(H,29,30)(H2,28,33,34).
What are the key properties of 3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide has a molecular weight of 524.95 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide is sourced from PubChem (CID 118412752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).