3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide

C19H23ClF3N3O3S — CID 146373143

IUPAC3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H23ClF3N3O3S/c20-15-3-1-13(2-4-15)14-5-9-26(10-6-14)30(28,29)16-11-25(12-16)17(27)24-18(7-8-18)19(21,22)23/h1-4,14,16H,5-12H2,(H,24,27)
InChIKeyDRNVBPRVLIFGIL-UHFFFAOYSA-N
MW465.93 g/mol
LogP3.34
Rot. Bonds4

About 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide

3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide (PubChem CID 146373143) has the molecular formula C19H23ClF3N3O3S and a molecular weight of 465.93 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
PubChem CID146373143
Molecular FormulaC19H23ClF3N3O3S
Molecular Weight465.93 g/mol
Exact Mass465.11
IUPAC Name3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H23ClF3N3O3S/c20-15-3-1-13(2-4-15)14-5-9-26(10-6-14)30(28,29)16-11-25(12-16)17(27)24-18(7-8-18)19(21,22)23/h1-4,14,16H,5-12H2,(H,24,27)
InChIKeyDRNVBPRVLIFGIL-UHFFFAOYSA-N
XLogP3.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.93
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide (CID 146373143) is 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide is O=C(NC1(C(F)(F)F)CC1)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The InChIKey is DRNVBPRVLIFGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF3N3O3S/c20-15-3-1-13(2-4-15)14-5-9-26(10-6-14)30(28,29)16-11-25(12-16)17(27)24-18(7-8-18)19(21,22)23/h1-4,14,16H,5-12H2,(H,24,27).
What are the key properties of 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide has a molecular weight of 465.93 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide is sourced from PubChem (CID 146373143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).