N-(4-chloro-2-fluorophenyl)sulfonylpentanamide

C11H13ClFNO3S — CID 47079538

IUPACN-(4-chloro-2-fluorophenyl)sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFNO3S/c1-2-3-4-11(15)14-18(16,17)10-6-5-8(12)7-9(10)13/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyDJGULEZVDUYNNP-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.47
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)sulfonylpentanamide

N-(4-chloro-2-fluorophenyl)sulfonylpentanamide (PubChem CID 47079538) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)sulfonylpentanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)sulfonylpentanamide
PubChem CID47079538
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC NameN-(4-chloro-2-fluorophenyl)sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFNO3S/c1-2-3-4-11(15)14-18(16,17)10-6-5-8(12)7-9(10)13/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyDJGULEZVDUYNNP-UHFFFAOYSA-N
XLogP2.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonylpentanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonylpentanamide (CID 47079538) is N-(4-chloro-2-fluorophenyl)sulfonylpentanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)sulfonylpentanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)sulfonylpentanamide is CCCCC(=O)NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)sulfonylpentanamide?
The InChIKey is DJGULEZVDUYNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c1-2-3-4-11(15)14-18(16,17)10-6-5-8(12)7-9(10)13/h5-7H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(4-chloro-2-fluorophenyl)sulfonylpentanamide?
N-(4-chloro-2-fluorophenyl)sulfonylpentanamide has a molecular weight of 293.75 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)sulfonylpentanamide is sourced from PubChem (CID 47079538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).