(3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide

C11H18F2N2O3S — CID 164629310

IUPAC(3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C11H18F2N2O3S/c12-11(13)4-1-8(2-5-11)10(16)15-6-3-9(7-15)19(14,17)18/h8-9H,1-7H2,(H2,14,17,18)/t9-/m0/s1
InChIKeyLUITXONPFPMMHR-VIFPVBQESA-N
MW296.34 g/mol
LogP0.70
Rot. Bonds2

About (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide

(3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide (PubChem CID 164629310) has the molecular formula C11H18F2N2O3S and a molecular weight of 296.34 g/mol. Its IUPAC name is (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide
PubChem CID164629310
Molecular FormulaC11H18F2N2O3S
Molecular Weight296.34 g/mol
Exact Mass296.10
IUPAC Name(3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C11H18F2N2O3S/c12-11(13)4-1-8(2-5-11)10(16)15-6-3-9(7-15)19(14,17)18/h8-9H,1-7H2,(H2,14,17,18)/t9-/m0/s1
InChIKeyLUITXONPFPMMHR-VIFPVBQESA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-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 (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide?
The IUPAC name of (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide (CID 164629310) is (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1.
What is the InChIKey of (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide?
The InChIKey is LUITXONPFPMMHR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18F2N2O3S/c12-11(13)4-1-8(2-5-11)10(16)15-6-3-9(7-15)19(14,17)18/h8-9H,1-7H2,(H2,14,17,18)/t9-/m0/s1.
What are the key properties of (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide?
(3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide has a molecular weight of 296.34 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 164629310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).