N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide

C17H19N3O3S — CID 39156898

IUPACN-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-18-24(22,23)15-8-6-13(7-9-15)17(21)20-11-3-5-16(20)14-4-2-10-19-12-14/h2,4,6-10,12,16,18H,3,5,11H2,1H3/t16-/m1/s1
InChIKeyAODWVKSIUBBILM-MRXNPFEDSA-N
MW345.42 g/mol
LogP1.97
Rot. Bonds4

About N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide

N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 39156898) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID39156898
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-18-24(22,23)15-8-6-13(7-9-15)17(21)20-11-3-5-16(20)14-4-2-10-19-12-14/h2,4,6-10,12,16,18H,3,5,11H2,1H3/t16-/m1/s1
InChIKeyAODWVKSIUBBILM-MRXNPFEDSA-N
XLogP1.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
N-methyl-N-phenyl-3-[(2S)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 34477512
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
[4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 163306466
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355685

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide (CID 39156898) is N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1.
What is the InChIKey of N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is AODWVKSIUBBILM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-18-24(22,23)15-8-6-13(7-9-15)17(21)20-11-3-5-16(20)14-4-2-10-19-12-14/h2,4,6-10,12,16,18H,3,5,11H2,1H3/t16-/m1/s1.
What are the key properties of N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide?
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 39156898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).