N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide

C20H25NO2S — CID 59103244

IUPACN-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(2)24(22,23)21-20-10-6-9-19(20)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-5,7-8,11-15,19-21H,6,9-10H2,1-2H3/t19-,20-/m1/s1
InChIKeyCCSQYNMGLKBALP-WOJBJXKFSA-N
MW343.49 g/mol
LogP4.32
Rot. Bonds5

About N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide

N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide (PubChem CID 59103244) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
PubChem CID59103244
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2S/c1-15(2)24(22,23)21-20-10-6-9-19(20)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-5,7-8,11-15,19-21H,6,9-10H2,1-2H3/t19-,20-/m1/s1
InChIKeyCCSQYNMGLKBALP-WOJBJXKFSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide (CID 59103244) is N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide?
The InChIKey is CCSQYNMGLKBALP-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15(2)24(22,23)21-20-10-6-9-19(20)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-5,7-8,11-15,19-21H,6,9-10H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide?
N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide has a molecular weight of 343.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(4-phenylphenyl)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 59103244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).