N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide

C15H20N2O3S — CID 61453579

IUPACN-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C15H20N2O3S/c16-9-10-20-15-8-4-7-14(11-15)17-21(18,19)12-13-5-2-1-3-6-13/h4,7-8,11,13,17H,1-3,5-6,10,12H2
InChIKeyMTGLMELOFUZQNN-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.91
Rot. Bonds6

About N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide

N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide (PubChem CID 61453579) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide
PubChem CID61453579
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C15H20N2O3S/c16-9-10-20-15-8-4-7-14(11-15)17-21(18,19)12-13-5-2-1-3-6-13/h4,7-8,11,13,17H,1-3,5-6,10,12H2
InChIKeyMTGLMELOFUZQNN-UHFFFAOYSA-N
XLogP2.91
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
CID 107651420
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047897
N-[3-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369723
2-[3-[(4-ethylcycloheptyl)amino]phenoxy]acetonitrile
CID 65084149
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 61453827
2-[3-[(4-ethylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721135
N-[3-(cyanomethoxy)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594030
2-[3-[(3-aminocyclohexyl)amino]phenoxy]acetonitrile
CID 79458944
2-[3-(thian-3-ylmethylamino)phenoxy]acetonitrile
CID 114282790
2-[3-(piperidin-3-ylmethylamino)phenoxy]acetonitrile
CID 80554089
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
CID 115606497

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide (CID 61453579) is N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide is N#CCOc1cccc(NS(=O)(=O)CC2CCCCC2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide?
The InChIKey is MTGLMELOFUZQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-9-10-20-15-8-4-7-14(11-15)17-21(18,19)12-13-5-2-1-3-6-13/h4,7-8,11,13,17H,1-3,5-6,10,12H2.
What are the key properties of N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide?
N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 61453579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).