N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide

C16H24F2N2O3S — CID 120710791

IUPACN-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(OCC(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H24F2N2O3S/c17-16(18)11-23-13-6-8-14(9-7-13)24(21,22)20-15(10-19)12-4-2-1-3-5-12/h6-9,12,15-16,20H,1-5,10-11,19H2
InChIKeyJCYGAPNEHRPQLO-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.52
Rot. Bonds8

About N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide

N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide (PubChem CID 120710791) has the molecular formula C16H24F2N2O3S and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide
PubChem CID120710791
Molecular FormulaC16H24F2N2O3S
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(OCC(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H24F2N2O3S/c17-16(18)11-23-13-6-8-14(9-7-13)24(21,22)20-15(10-19)12-4-2-1-3-5-12/h6-9,12,15-16,20H,1-5,10-11,19H2
InChIKeyJCYGAPNEHRPQLO-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide (CID 120710791) is N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide is NCC(NS(=O)(=O)c1ccc(OCC(F)F)cc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide?
The InChIKey is JCYGAPNEHRPQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3S/c17-16(18)11-23-13-6-8-14(9-7-13)24(21,22)20-15(10-19)12-4-2-1-3-5-12/h6-9,12,15-16,20H,1-5,10-11,19H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide?
N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide has a molecular weight of 362.44 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 120710791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).