N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide

C14H16F2N4O2S — CID 142582787

IUPACN-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ncnc3cc(F)c(F)cc23)C1
InChIInChI=1S/C14H16F2N4O2S/c1-23(21,22)19-9-3-2-4-20(7-9)14-10-5-11(15)12(16)6-13(10)17-8-18-14/h5-6,8-9,19H,2-4,7H2,1H3
InChIKeyUDGDJACAVDTPCR-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.43
Rot. Bonds3

About N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide

N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 142582787) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
PubChem CID142582787
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC NameN-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ncnc3cc(F)c(F)cc23)C1
InChIInChI=1S/C14H16F2N4O2S/c1-23(21,22)19-9-3-2-4-20(7-9)14-10-5-11(15)12(16)6-13(10)17-8-18-14/h5-6,8-9,19H,2-4,7H2,1H3
InChIKeyUDGDJACAVDTPCR-UHFFFAOYSA-N
XLogP1.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide (CID 142582787) is N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2ncnc3cc(F)c(F)cc23)C1.
What is the InChIKey of N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is UDGDJACAVDTPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-23(21,22)19-9-3-2-4-20(7-9)14-10-5-11(15)12(16)6-13(10)17-8-18-14/h5-6,8-9,19H,2-4,7H2,1H3.
What are the key properties of N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 342.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 142582787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).