2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide

C14H18F2N4O2S — CID 71996527

IUPAC2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNc1ncnc2cc(F)c(F)cc12
InChIInChI=1S/C14H18F2N4O2S/c1-3-20(4-2)23(21,22)6-5-17-14-10-7-11(15)12(16)8-13(10)18-9-19-14/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyRZVSACDWUCTDRP-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.99
Rot. Bonds7

About 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide

2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide (PubChem CID 71996527) has the molecular formula C14H18F2N4O2S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide
PubChem CID71996527
Molecular FormulaC14H18F2N4O2S
Molecular Weight344.39 g/mol
Exact Mass344.11
IUPAC Name2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNc1ncnc2cc(F)c(F)cc12
InChIInChI=1S/C14H18F2N4O2S/c1-3-20(4-2)23(21,22)6-5-17-14-10-7-11(15)12(16)8-13(10)18-9-19-14/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyRZVSACDWUCTDRP-UHFFFAOYSA-N
XLogP1.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide?
The IUPAC name of 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide (CID 71996527) is 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide.
What is the SMILES notation for 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide?
The canonical SMILES for 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide is CCN(CC)S(=O)(=O)CCNc1ncnc2cc(F)c(F)cc12.
What is the InChIKey of 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide?
The InChIKey is RZVSACDWUCTDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O2S/c1-3-20(4-2)23(21,22)6-5-17-14-10-7-11(15)12(16)8-13(10)18-9-19-14/h7-9H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide?
2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-difluoroquinazolin-4-yl)amino]-N,N-diethylethanesulfonamide is sourced from PubChem (CID 71996527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).