N-cyclopropyl-3,4-difluorobenzenesulfonamide

C9H9F2NO2S — CID 4199260

IUPACN-cyclopropyl-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO2S/c10-8-4-3-7(5-9(8)11)15(13,14)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeyNLFFYOJXFSKEDN-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.41
Rot. Bonds3

About N-cyclopropyl-3,4-difluorobenzenesulfonamide

N-cyclopropyl-3,4-difluorobenzenesulfonamide (PubChem CID 4199260) has the molecular formula C9H9F2NO2S and a molecular weight of 233.24 g/mol. Its IUPAC name is N-cyclopropyl-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3,4-difluorobenzenesulfonamide
PubChem CID4199260
Molecular FormulaC9H9F2NO2S
Molecular Weight233.24 g/mol
Exact Mass233.03
IUPAC NameN-cyclopropyl-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO2S/c10-8-4-3-7(5-9(8)11)15(13,14)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeyNLFFYOJXFSKEDN-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-cyclopropyl-3,4-difluorobenzenesulfonamide (CID 4199260) is N-cyclopropyl-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3,4-difluorobenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-cyclopropyl-3,4-difluorobenzenesulfonamide?
The InChIKey is NLFFYOJXFSKEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2S/c10-8-4-3-7(5-9(8)11)15(13,14)12-6-1-2-6/h3-6,12H,1-2H2.
What are the key properties of N-cyclopropyl-3,4-difluorobenzenesulfonamide?
N-cyclopropyl-3,4-difluorobenzenesulfonamide has a molecular weight of 233.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 4199260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).