1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C20H20FN5O3S — CID 55855640

IUPAC1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ncnc4cccc(F)c34)CC2)cc1
InChIInChI=1S/C20H20FN5O3S/c21-16-2-1-3-17-18(16)19(24-12-23-17)26-10-8-13(9-11-26)20(27)25-14-4-6-15(7-5-14)30(22,28)29/h1-7,12-13H,8-11H2,(H,25,27)(H2,22,28,29)
InChIKeyVLFYFFUVEOVZJW-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.27
Rot. Bonds4

About 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 55855640) has the molecular formula C20H20FN5O3S and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID55855640
Molecular FormulaC20H20FN5O3S
Molecular Weight429.48 g/mol
Exact Mass429.13
IUPAC Name1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ncnc4cccc(F)c34)CC2)cc1
InChIInChI=1S/C20H20FN5O3S/c21-16-2-1-3-17-18(16)19(24-12-23-17)26-10-8-13(9-11-26)20(27)25-14-4-6-15(7-5-14)30(22,28)29/h1-7,12-13H,8-11H2,(H,25,27)(H2,22,28,29)
InChIKeyVLFYFFUVEOVZJW-UHFFFAOYSA-N
XLogP2.27
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56816106
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 34043894
N-(4-sulfamoylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810830
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110437338
5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
CID 72881279
2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56816091
1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308321

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 55855640) is 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ncnc4cccc(F)c34)CC2)cc1.
What is the InChIKey of 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is VLFYFFUVEOVZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3S/c21-16-2-1-3-17-18(16)19(24-12-23-17)26-10-8-13(9-11-26)20(27)25-14-4-6-15(7-5-14)30(22,28)29/h1-7,12-13H,8-11H2,(H,25,27)(H2,22,28,29).
What are the key properties of 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoroquinazolin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55855640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).