4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide

C17H17BrF3N3O2S — CID 68553558

IUPAC4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrF3N3O2S/c18-12-3-5-14(6-4-12)27(25,26)23-13-7-10-24(11-8-13)16-15(17(19,20)21)2-1-9-22-16/h1-6,9,13,23H,7-8,10-11H2
InChIKeyIYZJEBLXQTVTPZ-UHFFFAOYSA-N
MW464.31 g/mol
LogP3.81
Rot. Bonds4

About 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide

4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 68553558) has the molecular formula C17H17BrF3N3O2S and a molecular weight of 464.31 g/mol. Its IUPAC name is 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide
PubChem CID68553558
Molecular FormulaC17H17BrF3N3O2S
Molecular Weight464.31 g/mol
Exact Mass463.02
IUPAC Name4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrF3N3O2S/c18-12-3-5-14(6-4-12)27(25,26)23-13-7-10-24(11-8-13)16-15(17(19,20)21)2-1-9-22-16/h1-6,9,13,23H,7-8,10-11H2
InChIKeyIYZJEBLXQTVTPZ-UHFFFAOYSA-N
XLogP3.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methylsulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 69406729
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 171682723
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 175650470
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide (CID 68553558) is 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is IYZJEBLXQTVTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF3N3O2S/c18-12-3-5-14(6-4-12)27(25,26)23-13-7-10-24(11-8-13)16-15(17(19,20)21)2-1-9-22-16/h1-6,9,13,23H,7-8,10-11H2.
What are the key properties of 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide?
4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 464.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 68553558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).