1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide

C15H19F3N4O4S — CID 43056185

IUPAC1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N4O4S/c16-15(17,18)9-20-13(23)11-2-1-3-12(8-11)21-14(24)10-4-6-22(7-5-10)27(19,25)26/h1-3,8,10H,4-7,9H2,(H,20,23)(H,21,24)(H2,19,25,26)
InChIKeyIKWMDVAUSIMDGD-UHFFFAOYSA-N
MW408.40 g/mol
LogP0.83
Rot. Bonds5

About 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide

1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 43056185) has the molecular formula C15H19F3N4O4S and a molecular weight of 408.40 g/mol. Its IUPAC name is 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID43056185
Molecular FormulaC15H19F3N4O4S
Molecular Weight408.40 g/mol
Exact Mass408.11
IUPAC Name1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N4O4S/c16-15(17,18)9-20-13(23)11-2-1-3-12(8-11)21-14(24)10-4-6-22(7-5-10)27(19,25)26/h1-3,8,10H,4-7,9H2,(H,20,23)(H,21,24)(H2,19,25,26)
InChIKeyIKWMDVAUSIMDGD-UHFFFAOYSA-N
XLogP0.83
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide
CID 18140060
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 75429563
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
N-[3-(propylcarbamoyl)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55705618
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 112815469
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945

Frequently Asked Questions

What is the IUPAC name of 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 43056185) is 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide is NS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)CC1.
What is the InChIKey of 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is IKWMDVAUSIMDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O4S/c16-15(17,18)9-20-13(23)11-2-1-3-12(8-11)21-14(24)10-4-6-22(7-5-10)27(19,25)26/h1-3,8,10H,4-7,9H2,(H,20,23)(H,21,24)(H2,19,25,26).
What are the key properties of 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 408.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43056185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).