N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide

C15H18BrFN4O2S — CID 142582630

IUPACN-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1c1ncnc2cc(Br)c(F)cc12
InChIInChI=1S/C15H18BrFN4O2S/c1-24(22,23)20-8-10-4-2-3-5-21(10)15-11-6-13(17)12(16)7-14(11)18-9-19-15/h6-7,9-10,20H,2-5,8H2,1H3
InChIKeyOSIKTZAJWBGXES-UHFFFAOYSA-N
MW417.30 g/mol
LogP2.44
Rot. Bonds4

About N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 142582630) has the molecular formula C15H18BrFN4O2S and a molecular weight of 417.30 g/mol. Its IUPAC name is N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID142582630
Molecular FormulaC15H18BrFN4O2S
Molecular Weight417.30 g/mol
Exact Mass416.03
IUPAC NameN-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1c1ncnc2cc(Br)c(F)cc12
InChIInChI=1S/C15H18BrFN4O2S/c1-24(22,23)20-8-10-4-2-3-5-21(10)15-11-6-13(17)12(16)7-14(11)18-9-19-15/h6-7,9-10,20H,2-5,8H2,1H3
InChIKeyOSIKTZAJWBGXES-UHFFFAOYSA-N
XLogP2.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide (CID 142582630) is N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1c1ncnc2cc(Br)c(F)cc12.
What is the InChIKey of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is OSIKTZAJWBGXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN4O2S/c1-24(22,23)20-8-10-4-2-3-5-21(10)15-11-6-13(17)12(16)7-14(11)18-9-19-15/h6-7,9-10,20H,2-5,8H2,1H3.
What are the key properties of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 417.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 142582630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).