4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide

C18H19ClF3N3O2S — CID 133340297

IUPAC4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCN(c3ccccc3Cl)C2)cc1C(F)(F)F
InChIInChI=1S/C18H19ClF3N3O2S/c19-15-5-1-2-6-16(15)25-9-3-4-13(11-25)24-12-7-8-17(28(23,26)27)14(10-12)18(20,21)22/h1-2,5-8,10,13,24H,3-4,9,11H2,(H2,23,26,27)
InChIKeyMLFQJEAVIDLIHV-UHFFFAOYSA-N
MW433.88 g/mol
LogP4.09
Rot. Bonds4

About 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide

4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133340297) has the molecular formula C18H19ClF3N3O2S and a molecular weight of 433.88 g/mol. Its IUPAC name is 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133340297
Molecular FormulaC18H19ClF3N3O2S
Molecular Weight433.88 g/mol
Exact Mass433.08
IUPAC Name4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCN(c3ccccc3Cl)C2)cc1C(F)(F)F
InChIInChI=1S/C18H19ClF3N3O2S/c19-15-5-1-2-6-16(15)25-9-3-4-13(11-25)24-12-7-8-17(28(23,26)27)14(10-12)18(20,21)22/h1-2,5-8,10,13,24H,3-4,9,11H2,(H2,23,26,27)
InChIKeyMLFQJEAVIDLIHV-UHFFFAOYSA-N
XLogP4.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.88
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340345
4-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 146129770
4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133343058
4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339090
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitrobenzenesulfonamide
CID 133411795
5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133411832
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 133453591
1-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-N-phenylpiperidin-3-amine
CID 133363222
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111507151
2-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]-2-phenylacetamide
CID 119882522
1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119882542

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide (CID 133340297) is 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCCN(c3ccccc3Cl)C2)cc1C(F)(F)F.
What is the InChIKey of 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MLFQJEAVIDLIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O2S/c19-15-5-1-2-6-16(15)25-9-3-4-13(11-25)24-12-7-8-17(28(23,26)27)14(10-12)18(20,21)22/h1-2,5-8,10,13,24H,3-4,9,11H2,(H2,23,26,27).
What are the key properties of 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide?
4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 433.88 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133340297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).