2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C21H15F6N3O3S — CID 10255515

IUPAC2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCS(=O)(=O)Nc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F6N3O3S/c1-34(32,33)30-17-11-12(18-16(21(25,26)27)3-2-10-28-18)4-9-15(17)19(31)29-14-7-5-13(6-8-14)20(22,23)24/h2-11,30H,1H3,(H,29,31)
InChIKeyJRBATXMNNOSVOU-UHFFFAOYSA-N
MW503.42 g/mol
LogP5.41
Rot. Bonds5

About 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 10255515) has the molecular formula C21H15F6N3O3S and a molecular weight of 503.42 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID10255515
Molecular FormulaC21H15F6N3O3S
Molecular Weight503.42 g/mol
Exact Mass503.07
IUPAC Name2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCS(=O)(=O)Nc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F6N3O3S/c1-34(32,33)30-17-11-12(18-16(21(25,26)27)3-2-10-28-18)4-9-15(17)19(31)29-14-7-5-13(6-8-14)20(22,23)24/h2-11,30H,1H3,(H,29,31)
InChIKeyJRBATXMNNOSVOU-UHFFFAOYSA-N
XLogP5.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.42
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58639482
4-[3-[bis(methylsulfonyl)amino]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 58639617
N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118766693
N-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]methanesulfonamide
CID 22030526
4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673620
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
CID 21253373
4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 59672711
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 44525563
4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 11511257
N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 11328609
2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030297

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 10255515) is 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is CS(=O)(=O)Nc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is JRBATXMNNOSVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N3O3S/c1-34(32,33)30-17-11-12(18-16(21(25,26)27)3-2-10-28-18)4-9-15(17)19(31)29-14-7-5-13(6-8-14)20(22,23)24/h2-11,30H,1H3,(H,29,31).
What are the key properties of 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 503.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 10255515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).