N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide

C20H25N5O2S — CID 24793948

IUPACN-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESCn1cc(CN2CCCC(CNS(=O)(=O)c3cccc4cccnc34)C2)cn1
InChIInChI=1S/C20H25N5O2S/c1-24-13-17(11-22-24)15-25-10-4-5-16(14-25)12-23-28(26,27)19-8-2-6-18-7-3-9-21-20(18)19/h2-3,6-9,11,13,16,23H,4-5,10,12,14-15H2,1H3
InChIKeyICTSOZZGRWKDKB-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.16
Rot. Bonds6

About N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide

N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide (PubChem CID 24793948) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
PubChem CID24793948
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESCn1cc(CN2CCCC(CNS(=O)(=O)c3cccc4cccnc34)C2)cn1
InChIInChI=1S/C20H25N5O2S/c1-24-13-17(11-22-24)15-25-10-4-5-16(14-25)12-23-28(26,27)19-8-2-6-18-7-3-9-21-20(18)19/h2-3,6-9,11,13,16,23H,4-5,10,12,14-15H2,1H3
InChIKeyICTSOZZGRWKDKB-UHFFFAOYSA-N
XLogP2.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide (CID 24793948) is N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide is Cn1cc(CN2CCCC(CNS(=O)(=O)c3cccc4cccnc34)C2)cn1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is ICTSOZZGRWKDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-24-13-17(11-22-24)15-25-10-4-5-16(14-25)12-23-28(26,27)19-8-2-6-18-7-3-9-21-20(18)19/h2-3,6-9,11,13,16,23H,4-5,10,12,14-15H2,1H3.
What are the key properties of N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide?
N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 399.52 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 24793948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).