N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide

C22H17ClFN5O4S — CID 164934768

IUPACN-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3nc(NC(C)=O)ncc3c2)c1F
InChIInChI=1S/C22H17ClFN5O4S/c1-12(30)27-22-26-10-14-8-13(6-7-17(14)28-22)16-4-3-5-18(20(16)24)29-34(31,32)19-9-15(23)11-25-21(19)33-2/h3-11,29H,1-2H3,(H,26,27,28,30)
InChIKeyXKSDBAOTDCVMOG-UHFFFAOYSA-N
MW501.93 g/mol
LogP4.25
Rot. Bonds6

About N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide

N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide (PubChem CID 164934768) has the molecular formula C22H17ClFN5O4S and a molecular weight of 501.93 g/mol. Its IUPAC name is N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide
PubChem CID164934768
Molecular FormulaC22H17ClFN5O4S
Molecular Weight501.93 g/mol
Exact Mass501.07
IUPAC NameN-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3nc(NC(C)=O)ncc3c2)c1F
InChIInChI=1S/C22H17ClFN5O4S/c1-12(30)27-22-26-10-14-8-13(6-7-17(14)28-22)16-4-3-5-18(20(16)24)29-34(31,32)19-9-15(23)11-25-21(19)33-2/h3-11,29H,1-2H3,(H,26,27,28,30)
InChIKeyXKSDBAOTDCVMOG-UHFFFAOYSA-N
XLogP4.25
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.93
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide?
The IUPAC name of N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide (CID 164934768) is N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide?
The canonical SMILES for N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3nc(NC(C)=O)ncc3c2)c1F.
What is the InChIKey of N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide?
The InChIKey is XKSDBAOTDCVMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O4S/c1-12(30)27-22-26-10-14-8-13(6-7-17(14)28-22)16-4-3-5-18(20(16)24)29-34(31,32)19-9-15(23)11-25-21(19)33-2/h3-11,29H,1-2H3,(H,26,27,28,30).
What are the key properties of N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide?
N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide has a molecular weight of 501.93 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2-fluorophenyl]quinazolin-2-yl]acetamide is sourced from PubChem (CID 164934768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).