N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C17H23F3N2O4S2 — CID 71796807

IUPACN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H23F3N2O4S2/c18-17(19,20)15-3-1-14(2-4-15)12-27(23,24)21-11-13-7-9-22(10-8-13)28(25,26)16-5-6-16/h1-4,13,16,21H,5-12H2
InChIKeyKPLCTWYEFSDZHC-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.33
Rot. Bonds7

About N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796807) has the molecular formula C17H23F3N2O4S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796807
Molecular FormulaC17H23F3N2O4S2
Molecular Weight440.51 g/mol
Exact Mass440.11
IUPAC NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H23F3N2O4S2/c18-17(19,20)15-3-1-14(2-4-15)12-27(23,24)21-11-13-7-9-22(10-8-13)28(25,26)16-5-6-16/h1-4,13,16,21H,5-12H2
InChIKeyKPLCTWYEFSDZHC-UHFFFAOYSA-N
XLogP2.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796807) is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is KPLCTWYEFSDZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O4S2/c18-17(19,20)15-3-1-14(2-4-15)12-27(23,24)21-11-13-7-9-22(10-8-13)28(25,26)16-5-6-16/h1-4,13,16,21H,5-12H2.
What are the key properties of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 440.51 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).