N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide

C19H24FN3O2S — CID 11632254

IUPACN-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2ccc(F)nc2)cc1
InChIInChI=1S/C19H24FN3O2S/c1-13(2)26(24,25)22-18-12-23(3)11-17(18)15-6-4-14(5-7-15)16-8-9-19(20)21-10-16/h4-10,13,17-18,22H,11-12H2,1-3H3/t17-,18+/m1/s1
InChIKeyWOMJVSPWJXCHGN-MSOLQXFVSA-N
MW377.49 g/mol
LogP2.61
Rot. Bonds5

About N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide

N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide (PubChem CID 11632254) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide
PubChem CID11632254
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC NameN-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2ccc(F)nc2)cc1
InChIInChI=1S/C19H24FN3O2S/c1-13(2)26(24,25)22-18-12-23(3)11-17(18)15-6-4-14(5-7-15)16-8-9-19(20)21-10-16/h4-10,13,17-18,22H,11-12H2,1-3H3/t17-,18+/m1/s1
InChIKeyWOMJVSPWJXCHGN-MSOLQXFVSA-N
XLogP2.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Vonoprazan
CID 15981397
N-[(2s)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1h-Inden-2-Yl]-2-Propanesulfonamide
CID 46398805
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 24884859
5-Isopropyl-2-methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 747990
3-{1-[(4-Fluorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738275
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
CID 5156859
n-[5-(5-Methyl-2-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11566130
N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-phenylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11568363
N-[5-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11573549
n-[5-(3-Pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11580514
2-Propanesulfonamide, N-[(2S)-2,3-dihydro-5-(6-methyl-3-pyridinyl)-1H-inden-2-yl]-
CID 11688520
N-((3S,4S)-4-(4-(6-fluoropyridin-3-yl)phenyl)tetrahydrofuran-3-yl)propane-2-sulfonamide
CID 16718565

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide (CID 11632254) is N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2ccc(F)nc2)cc1.
What is the InChIKey of N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide?
The InChIKey is WOMJVSPWJXCHGN-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-13(2)26(24,25)22-18-12-23(3)11-17(18)15-6-4-14(5-7-15)16-8-9-19(20)21-10-16/h4-10,13,17-18,22H,11-12H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide?
N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[4-(6-fluoro-3-pyridinyl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 11632254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).