N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide

C19H31FN2O5S2 — CID 10225880

IUPACN-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCOc1ccc(C2(F)CCCC2NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C19H31FN2O5S2/c1-14(2)28(23,24)21-12-13-27-17-9-7-16(8-10-17)19(20)11-5-6-18(19)22-29(25,26)15(3)4/h7-10,14-15,18,21-22H,5-6,11-13H2,1-4H3
InChIKeyDRXWZCOSYPNLJS-UHFFFAOYSA-N
MW450.60 g/mol
LogP2.44
Rot. Bonds10

About N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide

N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide (PubChem CID 10225880) has the molecular formula C19H31FN2O5S2 and a molecular weight of 450.60 g/mol. Its IUPAC name is N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide
PubChem CID10225880
Molecular FormulaC19H31FN2O5S2
Molecular Weight450.60 g/mol
Exact Mass450.17
IUPAC NameN-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCOc1ccc(C2(F)CCCC2NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C19H31FN2O5S2/c1-14(2)28(23,24)21-12-13-27-17-9-7-16(8-10-17)19(20)11-5-6-18(19)22-29(25,26)15(3)4/h7-10,14-15,18,21-22H,5-6,11-13H2,1-4H3
InChIKeyDRXWZCOSYPNLJS-UHFFFAOYSA-N
XLogP2.44
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide (CID 10225880) is N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCOc1ccc(C2(F)CCCC2NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide?
The InChIKey is DRXWZCOSYPNLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2O5S2/c1-14(2)28(23,24)21-12-13-27-17-9-7-16(8-10-17)19(20)11-5-6-18(19)22-29(25,26)15(3)4/h7-10,14-15,18,21-22H,5-6,11-13H2,1-4H3.
What are the key properties of N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide?
N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide has a molecular weight of 450.60 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-fluoro-2-(propan-2-ylsulfonylamino)cyclopentyl]phenoxy]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 10225880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).