2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide

C25H22F2N4O3S — CID 74539682

IUPAC2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(N4CCCC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H22F2N4O3S/c1-34-25-22(30-35(32,33)24-7-5-18(26)14-20(24)27)13-17(15-29-25)16-4-6-21-19(12-16)23(8-9-28-21)31-10-2-3-11-31/h4-9,12-15,30H,2-3,10-11H2,1H3
InChIKeySVNLAKNJHSGYGN-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.98
Rot. Bonds6

About 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 74539682) has the molecular formula C25H22F2N4O3S and a molecular weight of 496.54 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID74539682
Molecular FormulaC25H22F2N4O3S
Molecular Weight496.54 g/mol
Exact Mass496.14
IUPAC Name2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(N4CCCC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C25H22F2N4O3S/c1-34-25-22(30-35(32,33)24-7-5-18(26)14-20(24)27)13-17(15-29-25)16-4-6-21-19(12-16)23(8-9-28-21)31-10-2-3-11-31/h4-9,12-15,30H,2-3,10-11H2,1H3
InChIKeySVNLAKNJHSGYGN-UHFFFAOYSA-N
XLogP4.98
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

Omipalisib
CID 25167777
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 58441681
10,12-Difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
CID 71041954
4-fluoro-N-[2-methoxy-5-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74539045
2,4-difluoro-N-[2-methoxy-5-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74539799
2,4-difluoro-N-[5-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 74539862
2,4-difluoro-N-[2-methoxy-5-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 118352671
2,4-difluoro-N-[2-methoxy-5-(8-methoxy-4-methylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 135197572
N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methoxyquinolin-3-yl]-2-morpholin-4-ylacetamide
CID 137647250
2,4-difluoro-N-[2-methoxy-5-[4-[(E)-4-(4-methylpiperazin-1-yl)-4-oxobut-2-en-2-yl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 162644684
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178110
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178112

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 74539682) is 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nccc(N4CCCC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is SVNLAKNJHSGYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3S/c1-34-25-22(30-35(32,33)24-7-5-18(26)14-20(24)27)13-17(15-29-25)16-4-6-21-19(12-16)23(8-9-28-21)31-10-2-3-11-31/h4-9,12-15,30H,2-3,10-11H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 496.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-(4-pyrrolidin-1-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 74539682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).