N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide

C14H16F2N2O2S — CID 107493804

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16F2N2O2S/c15-14(16)10-18(9-8-17)21(19,20)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10,17H2
InChIKeyKOOYAHDOVHGDBQ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.05
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide (PubChem CID 107493804) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
PubChem CID107493804
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H16F2N2O2S/c15-14(16)10-18(9-8-17)21(19,20)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10,17H2
InChIKeyKOOYAHDOVHGDBQ-UHFFFAOYSA-N
XLogP2.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 174226998
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107493871
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide
CID 4986710
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide
CID 107493808
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
CID 56791454
N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide
CID 139649368
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
N,N-bis(cyanomethyl)naphthalene-1-sulfonamide
CID 115684138

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide (CID 107493804) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide is NCCN(CC(F)F)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide?
The InChIKey is KOOYAHDOVHGDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c15-14(16)10-18(9-8-17)21(19,20)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10,17H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide has a molecular weight of 314.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 107493804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).