N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide

C17H21N3O3S — CID 155959673

IUPACN-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O3S/c21-16-9-15(20(13-16)12-14-5-2-1-3-6-14)10-19-24(22,23)17-7-4-8-18-11-17/h1-8,11,15-16,19,21H,9-10,12-13H2/t15-,16-/m1/s1
InChIKeyRLUYCLAULQXIRR-HZPDHXFCSA-N
MW347.44 g/mol
LogP1.00
Rot. Bonds6

About N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide

N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide (PubChem CID 155959673) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide
PubChem CID155959673
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O3S/c21-16-9-15(20(13-16)12-14-5-2-1-3-6-14)10-19-24(22,23)17-7-4-8-18-11-17/h1-8,11,15-16,19,21H,9-10,12-13H2/t15-,16-/m1/s1
InChIKeyRLUYCLAULQXIRR-HZPDHXFCSA-N
XLogP1.00
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide 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-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128574882
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 167925784
5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 18538363
(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
CID 97078882
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride
CID 110012487
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110028208
N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 97069938
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
1-benzyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 86786895

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide (CID 155959673) is N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide is O=S(=O)(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccnc1.
What is the InChIKey of N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is RLUYCLAULQXIRR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-16-9-15(20(13-16)12-14-5-2-1-3-6-14)10-19-24(22,23)17-7-4-8-18-11-17/h1-8,11,15-16,19,21H,9-10,12-13H2/t15-,16-/m1/s1.
What are the key properties of N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide?
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 155959673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).