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

C21H24F2N2O3S — CID 59103243

IUPAC2,4-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)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H24F2N2O3S/c1-13(2)29(27,28)25-20-5-3-4-17(20)14-6-9-16(10-7-14)24-21(26)18-11-8-15(22)12-19(18)23/h6-13,17,20,25H,3-5H2,1-2H3,(H,24,26)/t17-,20-/m1/s1
InChIKeyITUBGEVEZNLHGH-YLJYHZDGSA-N
MW422.50 g/mol
LogP4.18
Rot. Bonds6

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

2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide (PubChem CID 59103243) has the molecular formula C21H24F2N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
PubChem CID59103243
Molecular FormulaC21H24F2N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name2,4-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)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H24F2N2O3S/c1-13(2)29(27,28)25-20-5-3-4-17(20)14-6-9-16(10-7-14)24-21(26)18-11-8-15(22)12-19(18)23/h6-13,17,20,25H,3-5H2,1-2H3,(H,24,26)/t17-,20-/m1/s1
InChIKeyITUBGEVEZNLHGH-YLJYHZDGSA-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-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103276
1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide
CID 69112646
4-isocyano-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103258
N-[(1R,2R)-2-(2,4-difluorophenyl)cyclopentyl]propane-2-sulfonamide
CID 69112697
4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 69112222
3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
CID 68549276
N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide
CID 163613729
N-[4-[(3S,4S)-1-acetyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]-3,5-difluorobenzamide
CID 68541385
N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
CID 59103244
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
[4-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]phenyl] hydrogen carbonate
CID 69112761

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide (CID 59103243) is 2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
The canonical SMILES for 2,4-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)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
The InChIKey is ITUBGEVEZNLHGH-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H24F2N2O3S/c1-13(2)29(27,28)25-20-5-3-4-17(20)14-6-9-16(10-7-14)24-21(26)18-11-8-15(22)12-19(18)23/h6-13,17,20,25H,3-5H2,1-2H3,(H,24,26)/t17-,20-/m1/s1.
What are the key properties of 2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
2,4-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 2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide is sourced from PubChem (CID 59103243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).