N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide

C21H26F2N4O2S — CID 133359177

IUPACN-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCC(CN3CCCC3)CC2)nc1
InChIInChI=1S/C21H26F2N4O2S/c22-19-5-3-17(13-20(19)23)25-30(28,29)18-4-6-21(24-14-18)27-11-7-16(8-12-27)15-26-9-1-2-10-26/h3-6,13-14,16,25H,1-2,7-12,15H2
InChIKeyFYNPLACAHVMASB-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.47
Rot. Bonds6

About N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide (PubChem CID 133359177) has the molecular formula C21H26F2N4O2S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
PubChem CID133359177
Molecular FormulaC21H26F2N4O2S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCC(CN3CCCC3)CC2)nc1
InChIInChI=1S/C21H26F2N4O2S/c22-19-5-3-17(13-20(19)23)25-30(28,29)18-4-6-21(24-14-18)27-11-7-16(8-12-27)15-26-9-1-2-10-26/h3-6,13-14,16,25H,1-2,7-12,15H2
InChIKeyFYNPLACAHVMASB-UHFFFAOYSA-N
XLogP3.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide (CID 133359177) is N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCC(CN3CCCC3)CC2)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is FYNPLACAHVMASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2S/c22-19-5-3-17(13-20(19)23)25-30(28,29)18-4-6-21(24-14-18)27-11-7-16(8-12-27)15-26-9-1-2-10-26/h3-6,13-14,16,25H,1-2,7-12,15H2.
What are the key properties of N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 436.53 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133359177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).