4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide

C26H17ClF2N4O2S — CID 121337144

IUPAC4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide
SMILESCc1cc(-c2cccc(F)c2)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)Nc3ccc(F)cn3)ccc12
InChIInChI=1S/C26H17ClF2N4O2S/c1-15-9-22(16-3-2-4-17(28)10-16)23(27)12-21(15)26-20-7-6-19(11-24(20)31-14-32-26)36(34,35)33-25-8-5-18(29)13-30-25/h2-14H,1H3,(H,30,33)
InChIKeyUYQOYVVIYQNVHF-UHFFFAOYSA-N
MW522.96 g/mol
LogP6.40
Rot. Bonds5

About 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide

4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide (PubChem CID 121337144) has the molecular formula C26H17ClF2N4O2S and a molecular weight of 522.96 g/mol. Its IUPAC name is 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide.

Molecular Properties

Compound Name4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide
PubChem CID121337144
Molecular FormulaC26H17ClF2N4O2S
Molecular Weight522.96 g/mol
Exact Mass522.07
IUPAC Name4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide
SMILESCc1cc(-c2cccc(F)c2)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)Nc3ccc(F)cn3)ccc12
InChIInChI=1S/C26H17ClF2N4O2S/c1-15-9-22(16-3-2-4-17(28)10-16)23(27)12-21(15)26-20-7-6-19(11-24(20)31-14-32-26)36(34,35)33-25-8-5-18(29)13-30-25/h2-14H,1H3,(H,30,33)
InChIKeyUYQOYVVIYQNVHF-UHFFFAOYSA-N
XLogP6.40
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.96
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide?
The IUPAC name of 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide (CID 121337144) is 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide.
What is the SMILES notation for 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide?
The canonical SMILES for 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide is Cc1cc(-c2cccc(F)c2)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)Nc3ccc(F)cn3)ccc12.
What is the InChIKey of 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide?
The InChIKey is UYQOYVVIYQNVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF2N4O2S/c1-15-9-22(16-3-2-4-17(28)10-16)23(27)12-21(15)26-20-7-6-19(11-24(20)31-14-32-26)36(34,35)33-25-8-5-18(29)13-30-25/h2-14H,1H3,(H,30,33).
What are the key properties of 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide?
4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide has a molecular weight of 522.96 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-N-(5-fluoro-2-pyridinyl)quinazoline-7-sulfonamide is sourced from PubChem (CID 121337144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).