4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide

C22H27ClFN3O3S — CID 60614144

IUPAC4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCCC(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)C1
InChIInChI=1S/C22H27ClFN3O3S/c1-15(2)27-11-3-4-16(14-27)13-25-22(28)17-5-10-20(23)21(12-17)31(29,30)26-19-8-6-18(24)7-9-19/h5-10,12,15-16,26H,3-4,11,13-14H2,1-2H3,(H,25,28)
InChIKeyQTQRQOLMWKLQEL-UHFFFAOYSA-N
MW467.99 g/mol
LogP4.13
Rot. Bonds7

About 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide

4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide (PubChem CID 60614144) has the molecular formula C22H27ClFN3O3S and a molecular weight of 467.99 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
PubChem CID60614144
Molecular FormulaC22H27ClFN3O3S
Molecular Weight467.99 g/mol
Exact Mass467.14
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCCC(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)C1
InChIInChI=1S/C22H27ClFN3O3S/c1-15(2)27-11-3-4-16(14-27)13-25-22(28)17-5-10-20(23)21(12-17)31(29,30)26-19-8-6-18(24)7-9-19/h5-10,12,15-16,26H,3-4,11,13-14H2,1-2H3,(H,25,28)
InChIKeyQTQRQOLMWKLQEL-UHFFFAOYSA-N
XLogP4.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.99
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 53464585
2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide
CID 94821318
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 55612530
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 60589492
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 35008871
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55840001
1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 52510251
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 30380701
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide (CID 60614144) is 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide is CC(C)N1CCCC(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)C1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The InChIKey is QTQRQOLMWKLQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN3O3S/c1-15(2)27-11-3-4-16(14-27)13-25-22(28)17-5-10-20(23)21(12-17)31(29,30)26-19-8-6-18(24)7-9-19/h5-10,12,15-16,26H,3-4,11,13-14H2,1-2H3,(H,25,28).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide has a molecular weight of 467.99 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 60614144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).