N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide

C17H27FN2O5S2 — CID 10202473

IUPACN-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1(F)c1ccc(OCCNS(C)(=O)=O)cc1
InChIInChI=1S/C17H27FN2O5S2/c1-13(2)27(23,24)20-16-5-4-10-17(16,18)14-6-8-15(9-7-14)25-12-11-19-26(3,21)22/h6-9,13,16,19-20H,4-5,10-12H2,1-3H3
InChIKeyBXGLDFGEUNTJTM-UHFFFAOYSA-N
MW422.54 g/mol
LogP1.66
Rot. Bonds9

About N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide

N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide (PubChem CID 10202473) has the molecular formula C17H27FN2O5S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide
PubChem CID10202473
Molecular FormulaC17H27FN2O5S2
Molecular Weight422.54 g/mol
Exact Mass422.13
IUPAC NameN-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1(F)c1ccc(OCCNS(C)(=O)=O)cc1
InChIInChI=1S/C17H27FN2O5S2/c1-13(2)27(23,24)20-16-5-4-10-17(16,18)14-6-8-15(9-7-14)25-12-11-19-26(3,21)22/h6-9,13,16,19-20H,4-5,10-12H2,1-3H3
InChIKeyBXGLDFGEUNTJTM-UHFFFAOYSA-N
XLogP1.66
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 51.66
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-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide (CID 10202473) is N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCC1(F)c1ccc(OCCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide?
The InChIKey is BXGLDFGEUNTJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O5S2/c1-13(2)27(23,24)20-16-5-4-10-17(16,18)14-6-8-15(9-7-14)25-12-11-19-26(3,21)22/h6-9,13,16,19-20H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide?
N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide has a molecular weight of 422.54 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-[4-[2-(methanesulfonamido)ethoxy]phenyl]cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 10202473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).