N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide

C19H24N2O2S — CID 33039061

IUPACN-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide
SMILESCN(Cc1ccccc1N1CCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-20(24(22,23)16-17-9-3-2-4-10-17)15-18-11-5-6-12-19(18)21-13-7-8-14-21/h2-6,9-12H,7-8,13-16H2,1H3
InChIKeyZDAZGCKPPZQDRP-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.25
Rot. Bonds6

About N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide

N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide (PubChem CID 33039061) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide
PubChem CID33039061
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide
SMILESCN(Cc1ccccc1N1CCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-20(24(22,23)16-17-9-3-2-4-10-17)15-18-11-5-6-12-19(18)21-13-7-8-14-21/h2-6,9-12H,7-8,13-16H2,1H3
InChIKeyZDAZGCKPPZQDRP-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N,beta-trimethyl-, methanesulfonate (1:1)
CID 3045275
1-Benzenesulfonyl-4-o-tolyl-piperazine
CID 740952
N-[3-(4-phenyl-1,2,3,6-tetrahydropyridyl)propyl]-N-phenylbenzenesulphonamide
CID 15710745
N-{3-[benzyl(2-fluorobenzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18511977
N-{3-[Benzyl-(4-methyl-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512002
N-{3-[benzyl(4-fluorobenzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18512022
N-[3-(dibenzylamino)-2-methylphenyl]-2-propanesulfonamide
CID 18512032
N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide
CID 18512117
N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide
CID 18512161

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide (CID 33039061) is N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide is CN(Cc1ccccc1N1CCCC1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide?
The InChIKey is ZDAZGCKPPZQDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20(24(22,23)16-17-9-3-2-4-10-17)15-18-11-5-6-12-19(18)21-13-7-8-14-21/h2-6,9-12H,7-8,13-16H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide?
N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 33039061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).