N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C22H25F3N2O3S — CID 2958275

IUPACN-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1CCCC(C)N1C(=O)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H25F3N2O3S/c1-15-5-3-6-16(2)27(15)21(28)18-11-9-17(10-12-18)14-26-31(29,30)20-8-4-7-19(13-20)22(23,24)25/h4,7-13,15-16,26H,3,5-6,14H2,1-2H3
InChIKeyACPBDPCAGZDJFQ-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.59
Rot. Bonds5

About N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2958275) has the molecular formula C22H25F3N2O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2958275
Molecular FormulaC22H25F3N2O3S
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC NameN-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC1CCCC(C)N1C(=O)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H25F3N2O3S/c1-15-5-3-6-16(2)27(15)21(28)18-11-9-17(10-12-18)14-26-31(29,30)20-8-4-7-19(13-20)22(23,24)25/h4,7-13,15-16,26H,3,5-6,14H2,1-2H3
InChIKeyACPBDPCAGZDJFQ-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 46556509
N-[(2R)-3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 45480715
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 44526975
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3253254
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 152770738
N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3549443

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 2958275) is N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is CC1CCCC(C)N1C(=O)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ACPBDPCAGZDJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3S/c1-15-5-3-6-16(2)27(15)21(28)18-11-9-17(10-12-18)14-26-31(29,30)20-8-4-7-19(13-20)22(23,24)25/h4,7-13,15-16,26H,3,5-6,14H2,1-2H3.
What are the key properties of N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 454.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2958275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).