N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C17H19N3O3S — CID 8880625

IUPACN-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S/c21-17(19-13-15-7-1-2-9-18-15)14-6-5-8-16(12-14)24(22,23)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11,13H2,(H,19,21)
InChIKeyBRVVSROVWRYGME-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.80
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 8880625) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID8880625
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S/c21-17(19-13-15-7-1-2-9-18-15)14-6-5-8-16(12-14)24(22,23)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11,13H2,(H,19,21)
InChIKeyBRVVSROVWRYGME-UHFFFAOYSA-N
XLogP1.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(pyridin-2-ylmethyl)-3-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

3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 109064311
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761
3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26215762
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-2-ylmethylamino)benzamide
CID 26224528
3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55783525
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
CID 77097656
3-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533968
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55707675
N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86962289

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 8880625) is N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BRVVSROVWRYGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(19-13-15-7-1-2-9-18-15)14-6-5-8-16(12-14)24(22,23)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11,13H2,(H,19,21).
What are the key properties of N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8880625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).