N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide

C23H29N3O3S — CID 3397510

IUPACN-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)C1CCCCC1
InChIInChI=1S/C23H29N3O3S/c27-23(18-7-2-1-3-8-18)25-20-11-13-21(14-12-20)30(28,29)26-16-5-4-10-22(26)19-9-6-15-24-17-19/h6,9,11-15,17-18,22H,1-5,7-8,10,16H2,(H,25,27)
InChIKeyPYAVQMIGVGICKT-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.52
Rot. Bonds5

About N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide

N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide (PubChem CID 3397510) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide
PubChem CID3397510
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)C1CCCCC1
InChIInChI=1S/C23H29N3O3S/c27-23(18-7-2-1-3-8-18)25-20-11-13-21(14-12-20)30(28,29)26-16-5-4-10-22(26)19-9-6-15-24-17-19/h6,9,11-15,17-18,22H,1-5,7-8,10,16H2,(H,25,27)
InChIKeyPYAVQMIGVGICKT-UHFFFAOYSA-N
XLogP4.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide (CID 3397510) is N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide?
The InChIKey is PYAVQMIGVGICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-23(18-7-2-1-3-8-18)25-20-11-13-21(14-12-20)30(28,29)26-16-5-4-10-22(26)19-9-6-15-24-17-19/h6,9,11-15,17-18,22H,1-5,7-8,10,16H2,(H,25,27).
What are the key properties of N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide?
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide has a molecular weight of 427.57 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 3397510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).