N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide

C20H27N3O2S — CID 59231359

IUPACN-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2cc(-c3ccccc3)ccn2)CC1
InChIInChI=1S/C20H27N3O2S/c1-2-26(24,25)22-15-16-8-10-19(11-9-16)23-20-14-18(12-13-21-20)17-6-4-3-5-7-17/h3-7,12-14,16,19,22H,2,8-11,15H2,1H3,(H,21,23)
InChIKeyZINQBIRNECDWTM-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.66
Rot. Bonds7

About N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide

N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide (PubChem CID 59231359) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide
PubChem CID59231359
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2cc(-c3ccccc3)ccn2)CC1
InChIInChI=1S/C20H27N3O2S/c1-2-26(24,25)22-15-16-8-10-19(11-9-16)23-20-14-18(12-13-21-20)17-6-4-3-5-7-17/h3-7,12-14,16,19,22H,2,8-11,15H2,1H3,(H,21,23)
InChIKeyZINQBIRNECDWTM-UHFFFAOYSA-N
XLogP3.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide (CID 59231359) is N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC(Nc2cc(-c3ccccc3)ccn2)CC1.
What is the InChIKey of N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is ZINQBIRNECDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-2-26(24,25)22-15-16-8-10-19(11-9-16)23-20-14-18(12-13-21-20)17-6-4-3-5-7-17/h3-7,12-14,16,19,22H,2,8-11,15H2,1H3,(H,21,23).
What are the key properties of N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide?
N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-phenyl-2-pyridinyl)amino]cyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 59231359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).