N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide

C14H19BrFNO3S — CID 67195179

IUPACN-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCC[C@H]1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO3S/c1-9(2)21(18,19)17-13-4-3-5-14(13)20-10-6-7-11(15)12(16)8-10/h6-9,13-14,17H,3-5H2,1-2H3/t13-,14+/m0/s1
InChIKeyLMVXOEKXLYMHFG-UONOGXRCSA-N
MW380.28 g/mol
LogP3.22
Rot. Bonds5

About N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide

N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide (PubChem CID 67195179) has the molecular formula C14H19BrFNO3S and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide
PubChem CID67195179
Molecular FormulaC14H19BrFNO3S
Molecular Weight380.28 g/mol
Exact Mass379.03
IUPAC NameN-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCC[C@H]1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO3S/c1-9(2)21(18,19)17-13-4-3-5-14(13)20-10-6-7-11(15)12(16)8-10/h6-9,13-14,17H,3-5H2,1-2H3/t13-,14+/m0/s1
InChIKeyLMVXOEKXLYMHFG-UONOGXRCSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide
CID 4789633
3-(4-fluorophenoxy)-N-((tetrahydrofuran-2-yl)methyl)propane-1-sulfonamide
CID 16884341
[(5-Bromo-2-ethoxyphenyl)sulfonyl](oxolan-2-ylmethyl)amine
CID 16004591
N-[(2S)-2-(2-bromophenoxy)propyl]methanesulfonamide
CID 97592113
(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentanamine
CID 67195127
N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclohexyl]propane-2-sulfonamide
CID 67197079
N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide
CID 77238419
N-[2-(4-bromo-3-fluorophenoxy)cyclohexyl]propane-2-sulfonamide
CID 77238726
N-[1-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide
CID 141624401
N-[(1S,2R)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide
CID 166147853
N-[(1S,2S)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide
CID 166147915
N-[(1R,2R)-2-(2-bromo-3-fluorophenoxy)cyclobutyl]-2-methylpropane-2-sulfinamide
CID 167335234

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide (CID 67195179) is N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1CCC[C@H]1Oc1ccc(Br)c(F)c1.
What is the InChIKey of N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide?
The InChIKey is LMVXOEKXLYMHFG-UONOGXRCSA-N. The full InChI is InChI=1S/C14H19BrFNO3S/c1-9(2)21(18,19)17-13-4-3-5-14(13)20-10-6-7-11(15)12(16)8-10/h6-9,13-14,17H,3-5H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide?
N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide has a molecular weight of 380.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 67195179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).