N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide

C18H20F3N3O2S — CID 154575895

IUPACN-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)C1CC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)12-1-4-15-16(11-12)22-8-5-17(15)24-9-6-13(7-10-24)23-27(25,26)14-2-3-14/h1,4-5,8,11,13-14,23H,2-3,6-7,9-10H2
InChIKeyOAPCYUVJFGSZSJ-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.30
Rot. Bonds4

About N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide

N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 154575895) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
PubChem CID154575895
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC NameN-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)C1CC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)12-1-4-15-16(11-12)22-8-5-17(15)24-9-6-13(7-10-24)23-27(25,26)14-2-3-14/h1,4-5,8,11,13-14,23H,2-3,6-7,9-10H2
InChIKeyOAPCYUVJFGSZSJ-UHFFFAOYSA-N
XLogP3.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9923234
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CID 10662815
CID 10662815
CID 2735960
CID 2735960
CID 224869
CID 224869
CID 10520098
CID 10520098
CID 10623482
CID 10623482
CID 10687513
CID 10687513
CID 10836059
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CID 11742533
CID 11742533

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide (CID 154575895) is N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)C1CC1.
What is the InChIKey of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is OAPCYUVJFGSZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-18(20,21)12-1-4-15-16(11-12)22-8-5-17(15)24-9-6-13(7-10-24)23-27(25,26)14-2-3-14/h1,4-5,8,11,13-14,23H,2-3,6-7,9-10H2.
What are the key properties of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide?
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 399.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 154575895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).