N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide

C17H17F5N4O2S — CID 133359510

IUPACN-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC2CCN(CC(F)(F)F)C2)nc1
InChIInChI=1S/C17H17F5N4O2S/c18-14-3-1-11(7-15(14)19)25-29(27,28)13-2-4-16(23-8-13)24-12-5-6-26(9-12)10-17(20,21)22/h1-4,7-8,12,25H,5-6,9-10H2,(H,23,24)
InChIKeyCPLNMCWLRSANKD-UHFFFAOYSA-N
MW436.41 g/mol
LogP3.21
Rot. Bonds6

About N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide (PubChem CID 133359510) has the molecular formula C17H17F5N4O2S and a molecular weight of 436.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
PubChem CID133359510
Molecular FormulaC17H17F5N4O2S
Molecular Weight436.41 g/mol
Exact Mass436.10
IUPAC NameN-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC2CCN(CC(F)(F)F)C2)nc1
InChIInChI=1S/C17H17F5N4O2S/c18-14-3-1-11(7-15(14)19)25-29(27,28)13-2-4-16(23-8-13)24-12-5-6-26(9-12)10-17(20,21)22/h1-4,7-8,12,25H,5-6,9-10H2,(H,23,24)
InChIKeyCPLNMCWLRSANKD-UHFFFAOYSA-N
XLogP3.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide (CID 133359510) is N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC2CCN(CC(F)(F)F)C2)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide?
The InChIKey is CPLNMCWLRSANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5N4O2S/c18-14-3-1-11(7-15(14)19)25-29(27,28)13-2-4-16(23-8-13)24-12-5-6-26(9-12)10-17(20,21)22/h1-4,7-8,12,25H,5-6,9-10H2,(H,23,24).
What are the key properties of N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide has a molecular weight of 436.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133359510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).