4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide

C18H21N3O3S — CID 97150016

IUPAC4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-14-3-2-12-21(14)18(22)16-4-6-17(7-5-16)25(23,24)20-13-15-8-10-19-11-9-15/h4-11,14,20H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyRJVCSKSSQPTLHO-CQSZACIVSA-N
MW359.45 g/mol
LogP2.18
Rot. Bonds5

About 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 97150016) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID97150016
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-14-3-2-12-21(14)18(22)16-4-6-17(7-5-16)25(23,24)20-13-15-8-10-19-11-9-15/h4-11,14,20H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyRJVCSKSSQPTLHO-CQSZACIVSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide 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-methyl-2-pyridinyl)methyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 97154708
4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 109060439
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 109064909
4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide
CID 70710461
4-N-[(1R,2R)-2-methylcyclohexyl]-1-N-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide
CID 7390356
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 39156898
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 42889122
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
1-N-(oxolan-2-ylmethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide
CID 644660
N-ethyl-4-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 32626765

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 97150016) is 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide is C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is RJVCSKSSQPTLHO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-3-2-12-21(14)18(22)16-4-6-17(7-5-16)25(23,24)20-13-15-8-10-19-11-9-15/h4-11,14,20H,2-3,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 97150016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).