N-cycloheptyl-3,4-difluorobenzenesulfonamide

C13H17F2NO2S — CID 2404272

IUPACN-cycloheptyl-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2S/c14-12-8-7-11(9-13(12)15)19(17,18)16-10-5-3-1-2-4-6-10/h7-10,16H,1-6H2
InChIKeyDJFWEHCPDOAQQE-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.97
Rot. Bonds3

About N-cycloheptyl-3,4-difluorobenzenesulfonamide

N-cycloheptyl-3,4-difluorobenzenesulfonamide (PubChem CID 2404272) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is N-cycloheptyl-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-3,4-difluorobenzenesulfonamide
PubChem CID2404272
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC NameN-cycloheptyl-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2S/c14-12-8-7-11(9-13(12)15)19(17,18)16-10-5-3-1-2-4-6-10/h7-10,16H,1-6H2
InChIKeyDJFWEHCPDOAQQE-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-cycloheptyl-3,4-difluorobenzenesulfonamide (CID 2404272) is N-cycloheptyl-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-3,4-difluorobenzenesulfonamide is O=S(=O)(NC1CCCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-cycloheptyl-3,4-difluorobenzenesulfonamide?
The InChIKey is DJFWEHCPDOAQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c14-12-8-7-11(9-13(12)15)19(17,18)16-10-5-3-1-2-4-6-10/h7-10,16H,1-6H2.
What are the key properties of N-cycloheptyl-3,4-difluorobenzenesulfonamide?
N-cycloheptyl-3,4-difluorobenzenesulfonamide has a molecular weight of 289.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 2404272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).