N-(3,3-diphenylpropyl)methanesulfonamide

C16H19NO2S — CID 896575

IUPACN-(3,3-diphenylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-20(18,19)17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKeyDTWZBHRZXCWDPL-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.76
Rot. Bonds6

About N-(3,3-diphenylpropyl)methanesulfonamide

N-(3,3-diphenylpropyl)methanesulfonamide (PubChem CID 896575) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)methanesulfonamide
PubChem CID896575
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(3,3-diphenylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-20(18,19)17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKeyDTWZBHRZXCWDPL-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)methanesulfonamide?
The IUPAC name of N-(3,3-diphenylpropyl)methanesulfonamide (CID 896575) is N-(3,3-diphenylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)methanesulfonamide?
The canonical SMILES for N-(3,3-diphenylpropyl)methanesulfonamide is CS(=O)(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)methanesulfonamide?
The InChIKey is DTWZBHRZXCWDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-20(18,19)17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3.
What are the key properties of N-(3,3-diphenylpropyl)methanesulfonamide?
N-(3,3-diphenylpropyl)methanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)methanesulfonamide is sourced from PubChem (CID 896575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).