2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide

C22H27ClFN3O3S — CID 55840001

IUPAC2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(C(C)CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)C1
InChIInChI=1S/C22H27ClFN3O3S/c1-15-4-3-11-27(14-15)16(2)13-25-22(28)20-12-19(9-10-21(20)23)31(29,30)26-18-7-5-17(24)6-8-18/h5-10,12,15-16,26H,3-4,11,13-14H2,1-2H3,(H,25,28)
InChIKeySRUCKKCKPIHARW-UHFFFAOYSA-N
MW467.99 g/mol
LogP4.13
Rot. Bonds7

About 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide

2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 55840001) has the molecular formula C22H27ClFN3O3S and a molecular weight of 467.99 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID55840001
Molecular FormulaC22H27ClFN3O3S
Molecular Weight467.99 g/mol
Exact Mass467.14
IUPAC Name2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(C(C)CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)C1
InChIInChI=1S/C22H27ClFN3O3S/c1-15-4-3-11-27(14-15)16(2)13-25-22(28)20-12-19(9-10-21(20)23)31(29,30)26-18-7-5-17(24)6-8-18/h5-10,12,15-16,26H,3-4,11,13-14H2,1-2H3,(H,25,28)
InChIKeySRUCKKCKPIHARW-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

2-chloro-4-fluoro-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 98720791
2-chloro-4-fluoro-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036175
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411
2-chloro-5-(dimethylsulfamoyl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301674
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 43019329
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60614144
2-chloro-4-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031094
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoate
CID 2346750
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 38502673

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide (CID 55840001) is 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide is CC1CCCN(C(C)CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)C1.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is SRUCKKCKPIHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN3O3S/c1-15-4-3-11-27(14-15)16(2)13-25-22(28)20-12-19(9-10-21(20)23)31(29,30)26-18-7-5-17(24)6-8-18/h5-10,12,15-16,26H,3-4,11,13-14H2,1-2H3,(H,25,28).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]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 2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 55840001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).