N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide

C9H16F3NO3S — CID 113242615

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)8(14)6-13-17(15,16)7-4-2-1-3-5-7/h7-8,13-14H,1-6H2
InChIKeyJBGOIOFXFBLQIA-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.16
Rot. Bonds4

About N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide

N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide (PubChem CID 113242615) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide
PubChem CID113242615
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)8(14)6-13-17(15,16)7-4-2-1-3-5-7/h7-8,13-14H,1-6H2
InChIKeyJBGOIOFXFBLQIA-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide
CID 103833962
[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]cyclohexane
CID 103834038
methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
CID 113356681
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543941
methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate
CID 103493575
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
N-(3-amino-2,2-difluoropropyl)cyclohexanesulfonamide
CID 114383985
methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate
CID 103493513
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123
2-(cycloheptylsulfonylamino)acetic acid
CID 22441691
2-[(cyclopentylsulfonylamino)methyl]butanoic acid
CID 105360867
2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113252022

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide (CID 113242615) is N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide is O=S(=O)(NCC(O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide?
The InChIKey is JBGOIOFXFBLQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)8(14)6-13-17(15,16)7-4-2-1-3-5-7/h7-8,13-14H,1-6H2.
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide has a molecular weight of 275.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexanesulfonamide is sourced from PubChem (CID 113242615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).