4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide

C20H21F3N2O4S — CID 50823789

IUPAC4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H21F3N2O4S/c1-29-17-6-8-18(9-7-17)30(27,28)24-16-10-12-25(13-11-16)19(26)14-2-4-15(5-3-14)20(21,22)23/h2-9,16,24H,10-13H2,1H3
InChIKeyHOKPRRSMYWIACJ-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.30
Rot. Bonds5

About 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide

4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 50823789) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID50823789
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC Name4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H21F3N2O4S/c1-29-17-6-8-18(9-7-17)30(27,28)24-16-10-12-25(13-11-16)19(26)14-2-4-15(5-3-14)20(21,22)23/h2-9,16,24H,10-13H2,1H3
InChIKeyHOKPRRSMYWIACJ-UHFFFAOYSA-N
XLogP3.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108563476
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 31817197
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 3226941
N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 17482943
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 55702827
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide (CID 50823789) is 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is HOKPRRSMYWIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c1-29-17-6-8-18(9-7-17)30(27,28)24-16-10-12-25(13-11-16)19(26)14-2-4-15(5-3-14)20(21,22)23/h2-9,16,24H,10-13H2,1H3.
What are the key properties of 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide?
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 442.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 50823789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).