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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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).