N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide

C17H20BrFN4O2S — CID 142582747

IUPACN-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCCN(c2ncnc3cc(Br)c(F)cc23)C1)C1CC1
InChIInChI=1S/C17H20BrFN4O2S/c18-14-7-16-13(6-15(14)19)17(21-10-20-16)23-5-1-2-11(9-23)8-22-26(24,25)12-3-4-12/h6-7,10-12,22H,1-5,8-9H2
InChIKeyJFEMXJBFWGLQBM-UHFFFAOYSA-N
MW443.34 g/mol
LogP2.83
Rot. Bonds5

About N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide

N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 142582747) has the molecular formula C17H20BrFN4O2S and a molecular weight of 443.34 g/mol. Its IUPAC name is N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID142582747
Molecular FormulaC17H20BrFN4O2S
Molecular Weight443.34 g/mol
Exact Mass442.05
IUPAC NameN-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1CCCN(c2ncnc3cc(Br)c(F)cc23)C1)C1CC1
InChIInChI=1S/C17H20BrFN4O2S/c18-14-7-16-13(6-15(14)19)17(21-10-20-16)23-5-1-2-11(9-23)8-22-26(24,25)12-3-4-12/h6-7,10-12,22H,1-5,8-9H2
InChIKeyJFEMXJBFWGLQBM-UHFFFAOYSA-N
XLogP2.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 52.83
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-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide (CID 142582747) is N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NCC1CCCN(c2ncnc3cc(Br)c(F)cc23)C1)C1CC1.
What is the InChIKey of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is JFEMXJBFWGLQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN4O2S/c18-14-7-16-13(6-15(14)19)17(21-10-20-16)23-5-1-2-11(9-23)8-22-26(24,25)12-3-4-12/h6-7,10-12,22H,1-5,8-9H2.
What are the key properties of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide?
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 443.34 g/mol, XLogP of 2.83, 5 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-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 142582747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).