6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

C19H22F2N4O2S — CID 133351779

IUPAC6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(N2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C19H22F2N4O2S/c20-15-9-16(21)11-17(10-15)23-28(26,27)18-3-4-19(22-12-18)25-7-5-24(6-8-25)13-14-1-2-14/h3-4,9-12,14,23H,1-2,5-8,13H2
InChIKeyDLIOFGUQSABUCH-UHFFFAOYSA-N
MW408.47 g/mol
LogP2.69
Rot. Bonds6

About 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 133351779) has the molecular formula C19H22F2N4O2S and a molecular weight of 408.47 g/mol. Its IUPAC name is 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
PubChem CID133351779
Molecular FormulaC19H22F2N4O2S
Molecular Weight408.47 g/mol
Exact Mass408.14
IUPAC Name6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(N2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C19H22F2N4O2S/c20-15-9-16(21)11-17(10-15)23-28(26,27)18-3-4-19(22-12-18)25-7-5-24(6-8-25)13-14-1-2-14/h3-4,9-12,14,23H,1-2,5-8,13H2
InChIKeyDLIOFGUQSABUCH-UHFFFAOYSA-N
XLogP2.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (CID 133351779) is 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(N2CCN(CC3CC3)CC2)nc1.
What is the InChIKey of 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is DLIOFGUQSABUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2S/c20-15-9-16(21)11-17(10-15)23-28(26,27)18-3-4-19(22-12-18)25-7-5-24(6-8-25)13-14-1-2-14/h3-4,9-12,14,23H,1-2,5-8,13H2.
What are the key properties of 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide has a molecular weight of 408.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 133351779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).