N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C18H21N3O3S — CID 18162988

IUPACN-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccnc1
InChIInChI=1S/C18H21N3O3S/c1-14(16-7-5-9-19-13-16)20-18(22)15-6-4-8-17(12-15)25(23,24)21-10-2-3-11-21/h4-9,12-14H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyVVOGIRHFFWJYDT-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.36
Rot. Bonds5

About N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 18162988) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID18162988
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccnc1
InChIInChI=1S/C18H21N3O3S/c1-14(16-7-5-9-19-13-16)20-18(22)15-6-4-8-17(12-15)25(23,24)21-10-2-3-11-21/h4-9,12-14H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyVVOGIRHFFWJYDT-UHFFFAOYSA-N
XLogP2.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-pyridin-3-ylethyl)-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-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162991
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 18162985
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7936606
3-(azepan-1-ylsulfonyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53285817
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
3-(1,4-diazepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]benzamide
CID 97201245

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 18162988) is N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is CC(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VVOGIRHFFWJYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14(16-7-5-9-19-13-16)20-18(22)15-6-4-8-17(12-15)25(23,24)21-10-2-3-11-21/h4-9,12-14H,2-3,10-11H2,1H3,(H,20,22).
What are the key properties of N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 359.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18162988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).