N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide

C19H16F3N3O2S — CID 155558073

IUPACN-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc(N)c(-c3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H16F3N3O2S/c1-28(26,27)25-16-7-3-4-12(9-16)14-10-17(18(23)24-11-14)13-5-2-6-15(8-13)19(20,21)22/h2-11,25H,1H3,(H2,23,24)
InChIKeyABORJTJIHVIIRM-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.39
Rot. Bonds4

About N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide

N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 155558073) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID155558073
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC NameN-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc(N)c(-c3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H16F3N3O2S/c1-28(26,27)25-16-7-3-4-12(9-16)14-10-17(18(23)24-11-14)13-5-2-6-15(8-13)19(20,21)22/h2-11,25H,1H3,(H2,23,24)
InChIKeyABORJTJIHVIIRM-UHFFFAOYSA-N
XLogP4.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
16-Methylsulfonyl-6-(trifluoromethyl)-2,4,8,14,16,25-hexazatetracyclo[18.3.1.13,7.010,15]pentacosa-1(23),3,5,7(25),10(15),11,13,20(24),21-nonaene
CID 134147409
6-[3-(Trifluoromethyl)anilino]pyridine-3-sulfonamide
CID 902005
N-(6-((1S)-1-(4-Fluorophenyl)-2,2-di-3-pyridinylethyl)-2-pyridinyl)methanesulfonamide
CID 11525190
N-(3-benzylphenyl)-2,2,2-trifluoro-N-(pyrimidin-5-ylmethyl)ethanesulfonamide
CID 11704482
N-(3-(alpha-Fluorobenzyl)phenyl)-N-(ethanesulfonyl)pyrid-3-ylmethylamine
CID 23521698
N-{5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridin-2-yl}sulfamide
CID 44187469
5-(4-Methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53259031
N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide
CID 66829372
N-(3-(3-Aminoisoquinolin-7-yl)-2,4-difluorophenyl)propane-1-sulfonamide
CID 70696122
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methylphenyl]propane-1-sulfonamide
CID 146306976
US10450297, Example 64
CID 57584462

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide (CID 155558073) is N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cnc(N)c(-c3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is ABORJTJIHVIIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c1-28(26,27)25-16-7-3-4-12(9-16)14-10-17(18(23)24-11-14)13-5-2-6-15(8-13)19(20,21)22/h2-11,25H,1H3,(H2,23,24).
What are the key properties of N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide?
N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 407.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 155558073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).