3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide

C19H22FN3O3S — CID 120554339

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O3S/c1-13-12-21-10-9-17(13)22-19(24)14-5-4-6-15(11-14)27(25,26)23-18-8-3-2-7-16(18)20/h2-8,11,13,17,21,23H,9-10,12H2,1H3,(H,22,24)
InChIKeyAACOYIGVLZAILL-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.35
Rot. Bonds5

About 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 120554339) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID120554339
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O3S/c1-13-12-21-10-9-17(13)22-19(24)14-5-4-6-15(11-14)27(25,26)23-18-8-3-2-7-16(18)20/h2-8,11,13,17,21,23H,9-10,12H2,1H3,(H,22,24)
InChIKeyAACOYIGVLZAILL-UHFFFAOYSA-N
XLogP2.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
N-[2-(aminomethyl)cyclopentyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557218
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
4-[(2-fluorophenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119428717
3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511835
3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164421
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide (CID 120554339) is 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide is CC1CNCCC1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is AACOYIGVLZAILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-13-12-21-10-9-17(13)22-19(24)14-5-4-6-15(11-14)27(25,26)23-18-8-3-2-7-16(18)20/h2-8,11,13,17,21,23H,9-10,12H2,1H3,(H,22,24).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120554339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).