N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide

C14H19BrFNO3S — CID 77238419

IUPACN-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1Oc1ccc(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
InChIKeyLMVXOEKXLYMHFG-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide

N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide (PubChem CID 77238419) has the molecular formula C14H19BrFNO3S and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide
PubChem CID77238419
Molecular FormulaC14H19BrFNO3S
Molecular Weight380.28 g/mol
Exact Mass379.03
IUPAC NameN-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC1Oc1ccc(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
InChIKeyLMVXOEKXLYMHFG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide (CID 77238419) is N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCC1Oc1ccc(Br)c(F)c1.
What is the InChIKey of N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide?
The InChIKey is LMVXOEKXLYMHFG-UHFFFAOYSA-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.
What are the key properties of N-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide?
N-[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-[2-(4-bromo-3-fluorophenoxy)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 77238419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).