3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide

C18H25ClF3N3O3S — CID 55407144

IUPAC3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25ClF3N3O3S/c1-12(2)25-9-6-13(7-10-25)24-17(26)5-8-23-29(27,28)14-3-4-16(19)15(11-14)18(20,21)22/h3-4,11-13,23H,5-10H2,1-2H3,(H,24,26)
InChIKeyMAXAQPKOCCTLJW-UHFFFAOYSA-N
MW455.93 g/mol
LogP3.02
Rot. Bonds7

About 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 55407144) has the molecular formula C18H25ClF3N3O3S and a molecular weight of 455.93 g/mol. Its IUPAC name is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID55407144
Molecular FormulaC18H25ClF3N3O3S
Molecular Weight455.93 g/mol
Exact Mass455.13
IUPAC Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25ClF3N3O3S/c1-12(2)25-9-6-13(7-10-25)24-17(26)5-8-23-29(27,28)14-3-4-16(19)15(11-14)18(20,21)22/h3-4,11-13,23H,5-10H2,1-2H3,(H,24,26)
InChIKeyMAXAQPKOCCTLJW-UHFFFAOYSA-N
XLogP3.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.93
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide with MolForge

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Related Compounds

N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
4-chloro-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 78838120
N-(1-propan-2-ylpiperidin-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanamide
CID 86845593
4-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119402275
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55519244
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide
CID 4843823
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 112842777
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
CID 28536702

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 55407144) is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide is CC(C)N1CCC(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is MAXAQPKOCCTLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClF3N3O3S/c1-12(2)25-9-6-13(7-10-25)24-17(26)5-8-23-29(27,28)14-3-4-16(19)15(11-14)18(20,21)22/h3-4,11-13,23H,5-10H2,1-2H3,(H,24,26).
What are the key properties of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 455.93 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 55407144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).