N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide

C11H16F2N2O2S — CID 65192915

IUPACN-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H16F2N2O2S/c1-2-4-8(7-14)15-18(16,17)11-9(12)5-3-6-10(11)13/h3,5-6,8,15H,2,4,7,14H2,1H3
InChIKeyUYRFQWVHLVEKIU-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.37
Rot. Bonds6

About N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide

N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide (PubChem CID 65192915) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
PubChem CID65192915
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H16F2N2O2S/c1-2-4-8(7-14)15-18(16,17)11-9(12)5-3-6-10(11)13/h3,5-6,8,15H,2,4,7,14H2,1H3
InChIKeyUYRFQWVHLVEKIU-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide (CID 65192915) is N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide is CCCC(CN)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide?
The InChIKey is UYRFQWVHLVEKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-2-4-8(7-14)15-18(16,17)11-9(12)5-3-6-10(11)13/h3,5-6,8,15H,2,4,7,14H2,1H3.
What are the key properties of N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide?
N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 65192915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).