2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide

C14H18F3N3O3S — CID 133355915

IUPAC2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)11-7-10(24(19,22)23)3-4-12(11)20-5-1-2-9(8-20)6-13(18)21/h3-4,7,9H,1-2,5-6,8H2,(H2,18,21)(H2,19,22,23)
InChIKeyDEPNBWZJQKWYQM-UHFFFAOYSA-N
MW365.38 g/mol
LogP1.44
Rot. Bonds4

About 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide

2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide (PubChem CID 133355915) has the molecular formula C14H18F3N3O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
PubChem CID133355915
Molecular FormulaC14H18F3N3O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)11-7-10(24(19,22)23)3-4-12(11)20-5-1-2-9(8-20)6-13(18)21/h3-4,7,9H,1-2,5-6,8H2,(H2,18,21)(H2,19,22,23)
InChIKeyDEPNBWZJQKWYQM-UHFFFAOYSA-N
XLogP1.44
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 133322846
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide
CID 133355858
4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
CID 107226922
4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133291317
2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355845
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133290641
2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355894
4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133349622
N-[[(3R)-1-[4-nitro-2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]acetamide
CID 95187085
1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine
CID 65483428
2-[1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]piperidin-3-yl]acetamide
CID 133355966
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-cyclopropyl-3-nitrobenzamide
CID 133355778

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide (CID 133355915) is 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide is NC(=O)CC1CCCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)C1.
What is the InChIKey of 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
The InChIKey is DEPNBWZJQKWYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3S/c15-14(16,17)11-7-10(24(19,22)23)3-4-12(11)20-5-1-2-9(8-20)6-13(18)21/h3-4,7,9H,1-2,5-6,8H2,(H2,18,21)(H2,19,22,23).
What are the key properties of 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide?
2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide has a molecular weight of 365.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 133355915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).