N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide

C10H17F2NO2S — CID 128574933

IUPACN-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)NC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H17F2NO2S/c1-9(6-7-9)16(14,15)13-8-2-4-10(11,12)5-3-8/h8,13H,2-7H2,1H3
InChIKeyXVLCQKHNJINOOM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.04
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide

N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide (PubChem CID 128574933) has the molecular formula C10H17F2NO2S and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide
PubChem CID128574933
Molecular FormulaC10H17F2NO2S
Molecular Weight253.31 g/mol
Exact Mass253.09
IUPAC NameN-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide
SMILESCC1(S(=O)(=O)NC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H17F2NO2S/c1-9(6-7-9)16(14,15)13-8-2-4-10(11,12)5-3-8/h8,13H,2-7H2,1H3
InChIKeyXVLCQKHNJINOOM-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-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

N-Cyclohexyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide
CID 23462806
N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 62492167
N-(4,4-difluorocyclohexyl)cyclopropanesulfonamide
CID 121021911
N-cyclohexyl-1,1-difluoroethanesulfonamide
CID 118150833
N-cyclohexyl-1-fluoroethanesulfonamide
CID 123992888
N-cyclohexyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294965
N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide
CID 129294969
N-cyclohexyl-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
CID 149295136
N-cyclohexyl-1,3-difluoro-2-(fluoromethyl)propane-2-sulfonamide
CID 156771289
N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
CID 163825829
2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide
CID 172615364
N-cyclohexyl-2,2,2-trifluoroethanesulfonamide
CID 175355743

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide (CID 128574933) is N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide is CC1(S(=O)(=O)NC2CCC(F)(F)CC2)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide?
The InChIKey is XVLCQKHNJINOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2S/c1-9(6-7-9)16(14,15)13-8-2-4-10(11,12)5-3-8/h8,13H,2-7H2,1H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide?
N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide has a molecular weight of 253.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 128574933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).