N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide

C20H21F3N2O4S — CID 69354989

IUPACN-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCN1CCC(C(=O)c2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)c2)CC1
InChIInChI=1S/C20H21F3N2O4S/c1-25-10-8-14(9-11-25)19(26)15-4-2-5-16(12-15)24-30(27,28)18-7-3-6-17(13-18)29-20(21,22)23/h2-7,12-14,24H,8-11H2,1H3
InChIKeyOODBZRRBTANZBB-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.91
Rot. Bonds6

About N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide

N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 69354989) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID69354989
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC NameN-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCN1CCC(C(=O)c2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)c2)CC1
InChIInChI=1S/C20H21F3N2O4S/c1-25-10-8-14(9-11-25)19(26)15-4-2-5-16(12-15)24-30(27,28)18-7-3-6-17(13-18)29-20(21,22)23/h2-7,12-14,24H,8-11H2,1H3
InChIKeyOODBZRRBTANZBB-UHFFFAOYSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
[3-(1-methylpiperidine-4-carbonyl)phenyl] 2-(trifluoromethoxy)benzenesulfonate
CID 23499287
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562
[3-(2-fluoroanilino)phenyl]-(1-methylpiperidin-4-yl)methanone;(1-methylpiperidin-4-yl)-[3-[2-(trifluoromethoxy)anilino]phenyl]methanone
CID 162621763
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
N-(3-ethynylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31783498
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
CID 52699404
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 35546488
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
methyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946892
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 171949229

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 69354989) is N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide is CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)c2)CC1.
What is the InChIKey of N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OODBZRRBTANZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c1-25-10-8-14(9-11-25)19(26)15-4-2-5-16(12-15)24-30(27,28)18-7-3-6-17(13-18)29-20(21,22)23/h2-7,12-14,24H,8-11H2,1H3.
What are the key properties of N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 442.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 69354989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).