N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide

C19H24F2N2O3S — CID 56549847

IUPACN-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide
SMILESCC(C)(C)CN(CCC#N)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1
InChIInChI=1S/C19H24F2N2O3S/c1-19(2,3)13-23(10-4-9-22)27(24,25)17-8-6-14-11-16(26-18(20)21)7-5-15(14)12-17/h5,7,11-12,18H,4,6,8,10,13H2,1-3H3
InChIKeyHTYKQEOGOUGQPF-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.17
Rot. Bonds7

About N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide

N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 56549847) has the molecular formula C19H24F2N2O3S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID56549847
Molecular FormulaC19H24F2N2O3S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC NameN-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide
SMILESCC(C)(C)CN(CCC#N)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1
InChIInChI=1S/C19H24F2N2O3S/c1-19(2,3)13-23(10-4-9-22)27(24,25)17-8-6-14-11-16(26-18(20)21)7-5-15(14)12-17/h5,7,11-12,18H,4,6,8,10,13H2,1-3H3
InChIKeyHTYKQEOGOUGQPF-UHFFFAOYSA-N
XLogP4.17
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide (CID 56549847) is N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide is CC(C)(C)CN(CCC#N)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1.
What is the InChIKey of N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is HTYKQEOGOUGQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O3S/c1-19(2,3)13-23(10-4-9-22)27(24,25)17-8-6-14-11-16(26-18(20)21)7-5-15(14)12-17/h5,7,11-12,18H,4,6,8,10,13H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide?
N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 398.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-6-(difluoromethoxy)-N-(2,2-dimethylpropyl)-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 56549847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).