N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide

C15H17F3N2O3S — CID 138506245

IUPACN-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H17F3N2O3S/c1-2-14(21)19-12-8-11(15(16,17)18)9-13(10-12)24(22,23)20-6-4-3-5-7-20/h2,8-10H,1,3-7H2,(H,19,21)
InChIKeyPKKOBYXHFUTWKS-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.00
Rot. Bonds4

About N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide

N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 138506245) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID138506245
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC NameN-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H17F3N2O3S/c1-2-14(21)19-12-8-11(15(16,17)18)9-13(10-12)24(22,23)20-6-4-3-5-7-20/h2,8-10H,1,3-7H2,(H,19,21)
InChIKeyPKKOBYXHFUTWKS-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(azetidin-1-ylsulfonyl)-5-(trifluoromethyl)benzoic acid
CID 70663656
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24529336
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 3967856
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872799
N-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67196353
N-pent-4-enyl-3-(prop-2-enoylamino)-5-(trifluoromethyl)benzamide
CID 155129173
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405977
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
CID 52938168
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301
N-[4-(4-aminopiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 52938413

Frequently Asked Questions

What is the IUPAC name of N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 138506245) is N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is PKKOBYXHFUTWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c1-2-14(21)19-12-8-11(15(16,17)18)9-13(10-12)24(22,23)20-6-4-3-5-7-20/h2,8-10H,1,3-7H2,(H,19,21).
What are the key properties of N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide?
N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 362.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-piperidin-1-ylsulfonyl-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 138506245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).