N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

C19H21FN2O3S — CID 53281859

IUPACN-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-7-8-17(26(24,25)22-9-2-3-10-22)12-18(14)19(23)21-13-15-5-4-6-16(20)11-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23)
InChIKeyAFJYZNFKNGAFKM-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.85
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 53281859) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID53281859
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-7-8-17(26(24,25)22-9-2-3-10-22)12-18(14)19(23)21-13-15-5-4-6-16(20)11-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23)
InChIKeyAFJYZNFKNGAFKM-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluorophenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281764
2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 55693333
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282284
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
N-[(3-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55577453
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
2-methyl-5-piperidin-1-ylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46772880
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27831858
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
(3R)-1-(3,4-dimethylphenyl)sulfonyl-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088416

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 53281859) is N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is AFJYZNFKNGAFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-7-8-17(26(24,25)22-9-2-3-10-22)12-18(14)19(23)21-13-15-5-4-6-16(20)11-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 376.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 53281859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).