(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide

C16H21F4N3O3S — CID 95155929

IUPAC(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F4N3O3S/c17-14-5-4-12(9-13(14)16(18,19)20)27(25,26)22-6-2-8-23-7-1-3-11(10-23)15(21)24/h4-5,9,11,22H,1-3,6-8,10H2,(H2,21,24)/t11-/m0/s1
InChIKeyJWDRMFIGJWVHJD-NSHDSACASA-N
MW411.42 g/mol
LogP1.71
Rot. Bonds7

About (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide

(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide (PubChem CID 95155929) has the molecular formula C16H21F4N3O3S and a molecular weight of 411.42 g/mol. Its IUPAC name is (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide
PubChem CID95155929
Molecular FormulaC16H21F4N3O3S
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F4N3O3S/c17-14-5-4-12(9-13(14)16(18,19)20)27(25,26)22-6-2-8-23-7-1-3-11(10-23)15(21)24/h4-5,9,11,22H,1-3,6-8,10H2,(H2,21,24)/t11-/m0/s1
InChIKeyJWDRMFIGJWVHJD-NSHDSACASA-N
XLogP1.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]piperidine-3-carboxamide
CID 94819135
(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125173766
1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide
CID 131909787
1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
CID 134697105
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60583832
1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide
CID 71858061
2-fluoro-5-(2-pyrrolidin-1-ylethylsulfamoyl)benzenecarbothioamide
CID 63289015
3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide
CID 120706378
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide;dihydrochloride
CID 120706377
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878
4-fluoro-N-[3-(6-oxopyridazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30948673

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide (CID 95155929) is (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide?
The InChIKey is JWDRMFIGJWVHJD-NSHDSACASA-N. The full InChI is InChI=1S/C16H21F4N3O3S/c17-14-5-4-12(9-13(14)16(18,19)20)27(25,26)22-6-2-8-23-7-1-3-11(10-23)15(21)24/h4-5,9,11,22H,1-3,6-8,10H2,(H2,21,24)/t11-/m0/s1.
What are the key properties of (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide?
(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 95155929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).