2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide

C20H28N2O2S — CID 67565303

IUPAC2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide
SMILESCCCCC(C)(C1CC=C(c2ccc(CC#N)cc2)CC1)S(N)(=O)=O
InChIInChI=1S/C20H28N2O2S/c1-3-4-14-20(2,25(22,23)24)19-11-9-18(10-12-19)17-7-5-16(6-8-17)13-15-21/h5-9,19H,3-4,10-14H2,1-2H3,(H2,22,23,24)
InChIKeyFYLSFCZLWXKCDY-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.17
Rot. Bonds7

About 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide

2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide (PubChem CID 67565303) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide.

Molecular Properties

Compound Name2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide
PubChem CID67565303
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide
SMILESCCCCC(C)(C1CC=C(c2ccc(CC#N)cc2)CC1)S(N)(=O)=O
InChIInChI=1S/C20H28N2O2S/c1-3-4-14-20(2,25(22,23)24)19-11-9-18(10-12-19)17-7-5-16(6-8-17)13-15-21/h5-9,19H,3-4,10-14H2,1-2H3,(H2,22,23,24)
InChIKeyFYLSFCZLWXKCDY-UHFFFAOYSA-N
XLogP4.17
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide?
The IUPAC name of 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide (CID 67565303) is 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide.
What is the SMILES notation for 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide?
The canonical SMILES for 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide is CCCCC(C)(C1CC=C(c2ccc(CC#N)cc2)CC1)S(N)(=O)=O.
What is the InChIKey of 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide?
The InChIKey is FYLSFCZLWXKCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-3-4-14-20(2,25(22,23)24)19-11-9-18(10-12-19)17-7-5-16(6-8-17)13-15-21/h5-9,19H,3-4,10-14H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide?
2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide has a molecular weight of 360.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide is sourced from PubChem (CID 67565303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).