N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide

C12H15ClFNO3S — CID 47422429

IUPACN-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO3S/c1-8(2)3-6-12(16)15-19(17,18)11-5-4-9(13)7-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyUEKPAHBWSYVKLP-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.72
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide

N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide (PubChem CID 47422429) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide
PubChem CID47422429
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC NameN-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO3S/c1-8(2)3-6-12(16)15-19(17,18)11-5-4-9(13)7-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyUEKPAHBWSYVKLP-UHFFFAOYSA-N
XLogP2.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.72
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)sulfonyl-4-methylpentanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide (CID 47422429) is N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide is CC(C)CCC(=O)NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide?
The InChIKey is UEKPAHBWSYVKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-8(2)3-6-12(16)15-19(17,18)11-5-4-9(13)7-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide?
N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide has a molecular weight of 307.77 g/mol, XLogP of 2.72, 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)sulfonyl-4-methylpentanamide is sourced from PubChem (CID 47422429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).