N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide

C19H24N2O2S — CID 44578267

IUPACN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C19H24N2O2S/c1-2-24(22,23)21(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,2,12-15H2,1H3/t18-/m0/s1
InChIKeyJTFGLXWULCGHRY-SFHVURJKSA-N
MW344.48 g/mol
LogP2.87
Rot. Bonds6

About N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide

N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 44578267) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide
PubChem CID44578267
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C19H24N2O2S/c1-2-24(22,23)21(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,2,12-15H2,1H3/t18-/m0/s1
InChIKeyJTFGLXWULCGHRY-SFHVURJKSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide (CID 44578267) is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is JTFGLXWULCGHRY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-24(22,23)21(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,2,12-15H2,1H3/t18-/m0/s1.
What are the key properties of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide?
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 44578267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).