4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide

C19H22N4O2S — CID 154339753

IUPAC4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C19H22N4O2S/c1-14-11-15(2)21-19(12-14)22-26(24,25)23-9-7-18(8-10-23)17-5-3-16(13-20)4-6-17/h3-6,11-12,18H,7-10H2,1-2H3,(H,21,22)
InChIKeyGPJYIEHZAIVMEW-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.11
Rot. Bonds4

About 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide

4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide (PubChem CID 154339753) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide
PubChem CID154339753
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C19H22N4O2S/c1-14-11-15(2)21-19(12-14)22-26(24,25)23-9-7-18(8-10-23)17-5-3-16(13-20)4-6-17/h3-6,11-12,18H,7-10H2,1-2H3,(H,21,22)
InChIKeyGPJYIEHZAIVMEW-UHFFFAOYSA-N
XLogP3.11
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide (CID 154339753) is 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide is Cc1cc(C)nc(NS(=O)(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1.
What is the InChIKey of 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide?
The InChIKey is GPJYIEHZAIVMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-11-15(2)21-19(12-14)22-26(24,25)23-9-7-18(8-10-23)17-5-3-16(13-20)4-6-17/h3-6,11-12,18H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide?
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide is sourced from PubChem (CID 154339753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).