N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide

C25H28N2O4S — CID 59537550

IUPACN-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide
SMILESNC1CCCCC1NS(=O)(=O)Cc1c(Oc2ccccc2)cccc1Oc1ccccc1
InChIInChI=1S/C25H28N2O4S/c26-22-14-7-8-15-23(22)27-32(28,29)18-21-24(30-19-10-3-1-4-11-19)16-9-17-25(21)31-20-12-5-2-6-13-20/h1-6,9-13,16-17,22-23,27H,7-8,14-15,18,26H2
InChIKeyKMKJIJGZOPLPGW-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.96
Rot. Bonds8

About N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide

N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide (PubChem CID 59537550) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide
PubChem CID59537550
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide
SMILESNC1CCCCC1NS(=O)(=O)Cc1c(Oc2ccccc2)cccc1Oc1ccccc1
InChIInChI=1S/C25H28N2O4S/c26-22-14-7-8-15-23(22)27-32(28,29)18-21-24(30-19-10-3-1-4-11-19)16-9-17-25(21)31-20-12-5-2-6-13-20/h1-6,9-13,16-17,22-23,27H,7-8,14-15,18,26H2
InChIKeyKMKJIJGZOPLPGW-UHFFFAOYSA-N
XLogP4.96
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide (CID 59537550) is N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide is NC1CCCCC1NS(=O)(=O)Cc1c(Oc2ccccc2)cccc1Oc1ccccc1.
What is the InChIKey of N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide?
The InChIKey is KMKJIJGZOPLPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c26-22-14-7-8-15-23(22)27-32(28,29)18-21-24(30-19-10-3-1-4-11-19)16-9-17-25(21)31-20-12-5-2-6-13-20/h1-6,9-13,16-17,22-23,27H,7-8,14-15,18,26H2.
What are the key properties of N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide?
N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide is sourced from PubChem (CID 59537550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).