N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide

C16H19N3O3S — CID 91626014

IUPACN-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ccccn2)CC1)c1cccnc1
InChIInChI=1S/C16H19N3O3S/c20-23(21,15-4-3-10-17-12-15)19-13-6-8-14(9-7-13)22-16-5-1-2-11-18-16/h1-5,10-14,19H,6-9H2
InChIKeyIBTYSYHIFVRCEF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.15
Rot. Bonds5

About N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide

N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide (PubChem CID 91626014) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide
PubChem CID91626014
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ccccn2)CC1)c1cccnc1
InChIInChI=1S/C16H19N3O3S/c20-23(21,15-4-3-10-17-12-15)19-13-6-8-14(9-7-13)22-16-5-1-2-11-18-16/h1-5,10-14,19H,6-9H2
InChIKeyIBTYSYHIFVRCEF-UHFFFAOYSA-N
XLogP2.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide (CID 91626014) is N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide is O=S(=O)(NC1CCC(Oc2ccccn2)CC1)c1cccnc1.
What is the InChIKey of N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide?
The InChIKey is IBTYSYHIFVRCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-23(21,15-4-3-10-17-12-15)19-13-6-8-14(9-7-13)22-16-5-1-2-11-18-16/h1-5,10-14,19H,6-9H2.
What are the key properties of N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide?
N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yloxycyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 91626014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).