2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide

C24H22F2N6O2S — CID 68519706

IUPAC2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCN1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
InChIInChI=1S/C24H22F2N6O2S/c1-31-6-8-32(9-7-31)24-20-11-16(2-4-22(20)28-15-29-24)17-10-19(14-27-13-17)30-35(33,34)23-5-3-18(25)12-21(23)26/h2-5,10-15,30H,6-9H2,1H3
InChIKeyQCHSYFCENVFSQA-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.52
Rot. Bonds5

About 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 68519706) has the molecular formula C24H22F2N6O2S and a molecular weight of 496.54 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID68519706
Molecular FormulaC24H22F2N6O2S
Molecular Weight496.54 g/mol
Exact Mass496.15
IUPAC Name2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCN1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1
InChIInChI=1S/C24H22F2N6O2S/c1-31-6-8-32(9-7-31)24-20-11-16(2-4-22(20)28-15-29-24)17-10-19(14-27-13-17)30-35(33,34)23-5-3-18(25)12-21(23)26/h2-5,10-15,30H,6-9H2,1H3
InChIKeyQCHSYFCENVFSQA-UHFFFAOYSA-N
XLogP3.52
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 68519706) is 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide is CN1CCN(c2ncnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)CC1.
What is the InChIKey of 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is QCHSYFCENVFSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2S/c1-31-6-8-32(9-7-31)24-20-11-16(2-4-22(20)28-15-29-24)17-10-19(14-27-13-17)30-35(33,34)23-5-3-18(25)12-21(23)26/h2-5,10-15,30H,6-9H2,1H3.
What are the key properties of 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 496.54 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 68519706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).