3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide

C27H28F3N3O3S — CID 44526052

IUPAC3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NCC2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C27H28F3N3O3S/c28-27(29,30)23-11-5-12-24(16-23)32-26(34)22-10-4-13-25(15-22)37(35,36)31-17-21-9-6-14-33(19-21)18-20-7-2-1-3-8-20/h1-5,7-8,10-13,15-16,21,31H,6,9,14,17-19H2,(H,32,34)
InChIKeyOVOQKPVGHPMAAO-UHFFFAOYSA-N
MW531.60 g/mol
LogP5.15
Rot. Bonds8

About 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 44526052) has the molecular formula C27H28F3N3O3S and a molecular weight of 531.60 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID44526052
Molecular FormulaC27H28F3N3O3S
Molecular Weight531.60 g/mol
Exact Mass531.18
IUPAC Name3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NCC2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C27H28F3N3O3S/c28-27(29,30)23-11-5-12-24(16-23)32-26(34)22-10-4-13-25(15-22)37(35,36)31-17-21-9-6-14-33(19-21)18-20-7-2-1-3-8-20/h1-5,7-8,10-13,15-16,21,31H,6,9,14,17-19H2,(H,32,34)
InChIKeyOVOQKPVGHPMAAO-UHFFFAOYSA-N
XLogP5.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.60
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 94864424
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 94864423
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
N-[[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 144961584
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
N-(cyclopropylmethyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37023245
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394
3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide
CID 142738850
3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 55931368
N-[3-[[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 44536868
N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide
CID 45237908

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 44526052) is 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NCC2CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OVOQKPVGHPMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O3S/c28-27(29,30)23-11-5-12-24(16-23)32-26(34)22-10-4-13-25(15-22)37(35,36)31-17-21-9-6-14-33(19-21)18-20-7-2-1-3-8-20/h1-5,7-8,10-13,15-16,21,31H,6,9,14,17-19H2,(H,32,34).
What are the key properties of 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 531.60 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-3-yl)methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44526052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).