3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide

C16H23N5O2S — CID 113024918

IUPAC3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-11-6-8-21(9-7-11)14-4-5-15(17-10-14)20-24(22,23)16-12(2)18-19-13(16)3/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyORMQTEWYTMMCBG-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.46
Rot. Bonds4

About 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide (PubChem CID 113024918) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
PubChem CID113024918
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-11-6-8-21(9-7-11)14-4-5-15(17-10-14)20-24(22,23)16-12(2)18-19-13(16)3/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyORMQTEWYTMMCBG-UHFFFAOYSA-N
XLogP2.46
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113031132
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]methanesulfonamide
CID 113024878
3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide
CID 122299890
4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
3,5-dimethyl-N-[4-(3-methylpiperidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985603
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113024917
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024892
3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 110735903
N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113039171
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108
3,5-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113023941

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide (CID 113024918) is 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cn1.
What is the InChIKey of 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is ORMQTEWYTMMCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-6-8-21(9-7-11)14-4-5-15(17-10-14)20-24(22,23)16-12(2)18-19-13(16)3/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113024918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).