N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide

C16H23NO2S — CID 55361587

IUPACN,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C16H23NO2S/c1-3-11-17(12-4-2)20(18,19)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyTYGMMYVTCQLQSG-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.43
Rot. Bonds6

About N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide

N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 55361587) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID55361587
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C16H23NO2S/c1-3-11-17(12-4-2)20(18,19)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyTYGMMYVTCQLQSG-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide (CID 55361587) is N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide is CCCN(CCC)S(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is TYGMMYVTCQLQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-3-11-17(12-4-2)20(18,19)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide?
N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 55361587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).