N-cyclohexyl-3,4-difluorobenzenesulfonamide

C12H15F2NO2S — CID 19681091

IUPACN-cyclohexyl-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO2S/c13-11-7-6-10(8-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2
InChIKeyCMENSQLXGCLYLW-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.58
Rot. Bonds3

About N-cyclohexyl-3,4-difluorobenzenesulfonamide

N-cyclohexyl-3,4-difluorobenzenesulfonamide (PubChem CID 19681091) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is N-cyclohexyl-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3,4-difluorobenzenesulfonamide
PubChem CID19681091
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC NameN-cyclohexyl-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO2S/c13-11-7-6-10(8-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2
InChIKeyCMENSQLXGCLYLW-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 51127509
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
CID 63258756
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
4-chloro-N-[4-(cyclooctylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892724
4-chloro-N-[4-(cyclohexylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892581
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
4-chloro-N-[4-(cyclopentylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892580
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-3,4-difluorobenzenesulfonamide (CID 19681091) is N-cyclohexyl-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3,4-difluorobenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-cyclohexyl-3,4-difluorobenzenesulfonamide?
The InChIKey is CMENSQLXGCLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c13-11-7-6-10(8-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2.
What are the key properties of N-cyclohexyl-3,4-difluorobenzenesulfonamide?
N-cyclohexyl-3,4-difluorobenzenesulfonamide has a molecular weight of 275.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 19681091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).