N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C23H20F2N6O2S — CID 25144672

IUPACN-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESN[C@@H]1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C1
InChIInChI=1S/C23H20F2N6O2S/c24-16-2-4-22(20(25)9-16)34(32,33)30-18-7-15(10-27-11-18)14-1-3-21-19(8-14)23(29-13-28-21)31-6-5-17(26)12-31/h1-4,7-11,13,17,30H,5-6,12,26H2/t17-/m1/s1
InChIKeyDDUQKFKBTXBFBG-QGZVFWFLSA-N
MW482.52 g/mol
LogP3.31
Rot. Bonds5

About N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 25144672) has the molecular formula C23H20F2N6O2S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID25144672
Molecular FormulaC23H20F2N6O2S
Molecular Weight482.52 g/mol
Exact Mass482.13
IUPAC NameN-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESN[C@@H]1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C1
InChIInChI=1S/C23H20F2N6O2S/c24-16-2-4-22(20(25)9-16)34(32,33)30-18-7-15(10-27-11-18)14-1-3-21-19(8-14)23(29-13-28-21)31-6-5-17(26)12-31/h1-4,7-11,13,17,30H,5-6,12,26H2/t17-/m1/s1
InChIKeyDDUQKFKBTXBFBG-QGZVFWFLSA-N
XLogP3.31
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 25144672) is N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is N[C@@H]1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)C1.
What is the InChIKey of N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is DDUQKFKBTXBFBG-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20F2N6O2S/c24-16-2-4-22(20(25)9-16)34(32,33)30-18-7-15(10-27-11-18)14-1-3-21-19(8-14)23(29-13-28-21)31-6-5-17(26)12-31/h1-4,7-11,13,17,30H,5-6,12,26H2/t17-/m1/s1.
What are the key properties of N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 482.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(3R)-3-aminopyrrolidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 25144672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).