N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide

C26H22F3N3O2S — CID 5268457

IUPACN,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(Nc2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H22F3N3O2S/c27-26(28,29)23-13-7-8-14-24(23)31-25-16-15-22(17-30-25)35(33,34)32(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-17H,18-19H2,(H,30,31)
InChIKeyROCKVCZLXJDRLJ-UHFFFAOYSA-N
MW497.54 g/mol
LogP6.24
Rot. Bonds8

About N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide

N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide (PubChem CID 5268457) has the molecular formula C26H22F3N3O2S and a molecular weight of 497.54 g/mol. Its IUPAC name is N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide
PubChem CID5268457
Molecular FormulaC26H22F3N3O2S
Molecular Weight497.54 g/mol
Exact Mass497.14
IUPAC NameN,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(Nc2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H22F3N3O2S/c27-26(28,29)23-13-7-8-14-24(23)31-25-16-15-22(17-30-25)35(33,34)32(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-17H,18-19H2,(H,30,31)
InChIKeyROCKVCZLXJDRLJ-UHFFFAOYSA-N
XLogP6.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.54
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
2-N-benzyl-2-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891033
N,N-diethyl-6-(2-methoxyanilino)pyridine-3-sulfonamide
CID 5267780
N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4539634
N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109119135
2-N-benzyl-2-N-ethyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893092
4-N-benzyl-4-N-methyl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112859512
N,N-dipropyl-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109161899
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The IUPAC name of N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide (CID 5268457) is N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide is O=S(=O)(c1ccc(Nc2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The InChIKey is ROCKVCZLXJDRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2S/c27-26(28,29)23-13-7-8-14-24(23)31-25-16-15-22(17-30-25)35(33,34)32(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-17H,18-19H2,(H,30,31).
What are the key properties of N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide has a molecular weight of 497.54 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-6-[2-(trifluoromethyl)anilino]pyridine-3-sulfonamide is sourced from PubChem (CID 5268457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).