3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide

C21H24F2N2O3S — CID 59103276

IUPAC3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H24F2N2O3S/c1-13(2)29(27,28)25-20-5-3-4-19(20)14-6-8-18(9-7-14)24-21(26)15-10-16(22)12-17(23)11-15/h6-13,19-20,25H,3-5H2,1-2H3,(H,24,26)/t19-,20-/m1/s1
InChIKeyCWPTVIBFJARZEG-WOJBJXKFSA-N
MW422.50 g/mol
LogP4.18
Rot. Bonds6

About 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide

3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide (PubChem CID 59103276) has the molecular formula C21H24F2N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
PubChem CID59103276
Molecular FormulaC21H24F2N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H24F2N2O3S/c1-13(2)29(27,28)25-20-5-3-4-19(20)14-6-8-18(9-7-14)24-21(26)15-10-16(22)12-17(23)11-15/h6-13,19-20,25H,3-5H2,1-2H3,(H,24,26)/t19-,20-/m1/s1
InChIKeyCWPTVIBFJARZEG-WOJBJXKFSA-N
XLogP4.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 10159252
3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
CID 68549276
1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide
CID 69112646
2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103243
N-[4-[(3S,4S)-1-acetyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]-3,5-difluorobenzamide
CID 68541385
4-isocyano-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103258
4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 69112222
N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide
CID 163613729
N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
CID 59103244
[4-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]phenyl] hydrogen carbonate
CID 69112761
N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide
CID 69112697
N-[2-[4-[4-(2-aminocyclopentyl)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
CID 69112377

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide (CID 59103276) is 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide is CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
The InChIKey is CWPTVIBFJARZEG-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24F2N2O3S/c1-13(2)29(27,28)25-20-5-3-4-19(20)14-6-8-18(9-7-14)24-21(26)15-10-16(22)12-17(23)11-15/h6-13,19-20,25H,3-5H2,1-2H3,(H,24,26)/t19-,20-/m1/s1.
What are the key properties of 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide has a molecular weight of 422.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide is sourced from PubChem (CID 59103276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).