4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

C22H21FN4O5S2 — CID 11670621

IUPAC4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCc2nc(NC(=O)c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C22H21FN4O5S2/c1-33(29,30)19-4-2-3-5-20(19)34(31,32)27-17-10-11-18-15(12-17)13-24-22(25-18)26-21(28)14-6-8-16(23)9-7-14/h2-9,13,17,27H,10-12H2,1H3,(H,24,25,26,28)
InChIKeyQSVDMBUXKLBGIY-UHFFFAOYSA-N
MW504.57 g/mol
LogP2.11
Rot. Bonds6

About 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide (PubChem CID 11670621) has the molecular formula C22H21FN4O5S2 and a molecular weight of 504.57 g/mol. Its IUPAC name is 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
PubChem CID11670621
Molecular FormulaC22H21FN4O5S2
Molecular Weight504.57 g/mol
Exact Mass504.09
IUPAC Name4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCc2nc(NC(=O)c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C22H21FN4O5S2/c1-33(29,30)19-4-2-3-5-20(19)34(31,32)27-17-10-11-18-15(12-17)13-24-22(25-18)26-21(28)14-6-8-16(23)9-7-14/h2-9,13,17,27H,10-12H2,1H3,(H,24,25,26,28)
InChIKeyQSVDMBUXKLBGIY-UHFFFAOYSA-N
XLogP2.11
TPSA135.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide (CID 11670621) is 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide is CS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCc2nc(NC(=O)c3ccc(F)cc3)ncc2C1.
What is the InChIKey of 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide?
The InChIKey is QSVDMBUXKLBGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O5S2/c1-33(29,30)19-4-2-3-5-20(19)34(31,32)27-17-10-11-18-15(12-17)13-24-22(25-18)26-21(28)14-6-8-16(23)9-7-14/h2-9,13,17,27H,10-12H2,1H3,(H,24,25,26,28).
What are the key properties of 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide?
4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide has a molecular weight of 504.57 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[(2-methylsulfonylphenyl)sulfonylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide is sourced from PubChem (CID 11670621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).