2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide

C15H13F2NO2S — CID 166183250

IUPAC2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
SMILESO=S(=O)(NC1(c2ccccc2)CC1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO2S/c16-12-7-4-8-13(17)14(12)21(19,20)18-15(9-10-15)11-5-2-1-3-6-11/h1-8,18H,9-10H2
InChIKeyOSMVEHOHPTZGEF-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.93
Rot. Bonds4

About 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide

2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide (PubChem CID 166183250) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
PubChem CID166183250
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC Name2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
SMILESO=S(=O)(NC1(c2ccccc2)CC1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO2S/c16-12-7-4-8-13(17)14(12)21(19,20)18-15(9-10-15)11-5-2-1-3-6-11/h1-8,18H,9-10H2
InChIKeyOSMVEHOHPTZGEF-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide (CID 166183250) is 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide is O=S(=O)(NC1(c2ccccc2)CC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide?
The InChIKey is OSMVEHOHPTZGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c16-12-7-4-8-13(17)14(12)21(19,20)18-15(9-10-15)11-5-2-1-3-6-11/h1-8,18H,9-10H2.
What are the key properties of 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide?
2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide has a molecular weight of 309.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 166183250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).