1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane

C7H14F2N2O2S — CID 175947615

IUPAC1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane
SMILESNS(=O)(=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)3-1-6(2-4-7)5-11-14(10,12)13/h6,11H,1-5H2,(H2,10,12,13)
InChIKeyZJNPMHRYHDRDRP-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.61
Rot. Bonds3

About 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane

1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane (PubChem CID 175947615) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane
PubChem CID175947615
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane
SMILESNS(=O)(=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)3-1-6(2-4-7)5-11-14(10,12)13/h6,11H,1-5H2,(H2,10,12,13)
InChIKeyZJNPMHRYHDRDRP-UHFFFAOYSA-N
XLogP0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane 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 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane (CID 175947615) is 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane is NS(=O)(=O)NCC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane?
The InChIKey is ZJNPMHRYHDRDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-7(9)3-1-6(2-4-7)5-11-14(10,12)13/h6,11H,1-5H2,(H2,10,12,13).
What are the key properties of 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane?
1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane has a molecular weight of 228.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-[(sulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 175947615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).