2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide

C11H15F2NO3S — CID 60592719

IUPAC2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO3S/c1-14(6-3-7-17-2)18(15,16)11-8-9(12)4-5-10(11)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyUFBOHQPVRMGEGF-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.62
Rot. Bonds6

About 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide

2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide (PubChem CID 60592719) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
PubChem CID60592719
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO3S/c1-14(6-3-7-17-2)18(15,16)11-8-9(12)4-5-10(11)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyUFBOHQPVRMGEGF-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide (CID 60592719) is 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide is COCCCN(C)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is UFBOHQPVRMGEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-14(6-3-7-17-2)18(15,16)11-8-9(12)4-5-10(11)13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60592719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).