N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide

C20H27FN4O2S — CID 146331869

IUPACN-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)C1CCCCC1
InChIInChI=1S/C20H27FN4O2S/c21-16-8-9-19-18(11-16)20(23-14-22-19)25-10-4-5-15(13-25)12-24-28(26,27)17-6-2-1-3-7-17/h8-9,11,14-15,17,24H,1-7,10,12-13H2
InChIKeyHRKCAEFOXICKRR-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.24
Rot. Bonds5

About N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide

N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide (PubChem CID 146331869) has the molecular formula C20H27FN4O2S and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide
PubChem CID146331869
Molecular FormulaC20H27FN4O2S
Molecular Weight406.53 g/mol
Exact Mass406.18
IUPAC NameN-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)C1CCCCC1
InChIInChI=1S/C20H27FN4O2S/c21-16-8-9-19-18(11-16)20(23-14-22-19)25-10-4-5-15(13-25)12-24-28(26,27)17-6-2-1-3-7-17/h8-9,11,14-15,17,24H,1-7,10,12-13H2
InChIKeyHRKCAEFOXICKRR-UHFFFAOYSA-N
XLogP3.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide?
The IUPAC name of N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide (CID 146331869) is N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide?
The canonical SMILES for N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide is O=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)C1CCCCC1.
What is the InChIKey of N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide?
The InChIKey is HRKCAEFOXICKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2S/c21-16-8-9-19-18(11-16)20(23-14-22-19)25-10-4-5-15(13-25)12-24-28(26,27)17-6-2-1-3-7-17/h8-9,11,14-15,17,24H,1-7,10,12-13H2.
What are the key properties of N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide?
N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclohexanesulfonamide is sourced from PubChem (CID 146331869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).