3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

C22H22FN5O3S — CID 55858580

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C22H22FN5O3S/c23-19-9-1-2-10-20(19)27-32(30,31)18-8-3-6-16(14-18)21(29)26-17-7-4-13-28(15-17)22-24-11-5-12-25-22/h1-3,5-6,8-12,14,17,27H,4,7,13,15H2,(H,26,29)
InChIKeyXQNJARNTPJLKEH-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.82
Rot. Bonds6

About 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (PubChem CID 55858580) has the molecular formula C22H22FN5O3S and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
PubChem CID55858580
Molecular FormulaC22H22FN5O3S
Molecular Weight455.52 g/mol
Exact Mass455.14
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C22H22FN5O3S/c23-19-9-1-2-10-20(19)27-32(30,31)18-8-3-6-16(14-18)21(29)26-17-7-4-13-28(15-17)22-24-11-5-12-25-22/h1-3,5-6,8-12,14,17,27H,4,7,13,15H2,(H,26,29)
InChIKeyXQNJARNTPJLKEH-UHFFFAOYSA-N
XLogP2.82
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55854355
N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
CID 109063262
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920
3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 55858070
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
N-[2-(aminomethyl)cyclopentyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55821932
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 47839090
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120554339

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (CID 55858580) is 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is O=C(NC1CCCN(c2ncccn2)C1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The InChIKey is XQNJARNTPJLKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3S/c23-19-9-1-2-10-20(19)27-32(30,31)18-8-3-6-16(14-18)21(29)26-17-7-4-13-28(15-17)22-24-11-5-12-25-22/h1-3,5-6,8-12,14,17,27H,4,7,13,15H2,(H,26,29).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide has a molecular weight of 455.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is sourced from PubChem (CID 55858580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).