4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide

C10H18F3NO2S — CID 114545331

IUPAC4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide
SMILESCC1CCC(NS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-8-3-4-9(7-8)14-17(15,16)6-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyWEBRTVBGGPEBNS-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.44
Rot. Bonds5

About 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide

4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide (PubChem CID 114545331) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide
PubChem CID114545331
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide
SMILESCC1CCC(NS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-8-3-4-9(7-8)14-17(15,16)6-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyWEBRTVBGGPEBNS-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide 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

(3R)-3-amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11492464
3-Amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11665923
(3S)-3-amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11665924
3,3,3-trifluoro-N-[(1R,3S)-3-methylcyclopentyl]propane-1-sulfonamide
CID 68316105
N-[(1R,3S)-3-ethylcyclopentyl]-3-fluoropropane-1-sulfonamide
CID 70642520
3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide
CID 129131079
1-(2-Amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide
CID 142797226
N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 156532369
N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide
CID 134966480
1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide
CID 14967680
N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355499
N-[3-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355500

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide (CID 114545331) is 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide is CC1CCC(NS(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide?
The InChIKey is WEBRTVBGGPEBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-8-3-4-9(7-8)14-17(15,16)6-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide is sourced from PubChem (CID 114545331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).