3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide

C16H14F3N5OS — CID 162749527

IUPAC3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide
SMILESCNS(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cnc[nH]2)c1
InChIInChI=1S/C16H14F3N5OS/c1-20-26(25)11-3-4-13(12(6-11)14-8-21-9-23-14)24-15-5-2-10(7-22-15)16(17,18)19/h2-9,20H,1H3,(H,21,23)(H,22,24)
InChIKeyMNKCPNGALQMWFK-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.48
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide

3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide (PubChem CID 162749527) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide
PubChem CID162749527
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Name3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide
SMILESCNS(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cnc[nH]2)c1
InChIInChI=1S/C16H14F3N5OS/c1-20-26(25)11-3-4-13(12(6-11)14-8-21-9-23-14)24-15-5-2-10(7-22-15)16(17,18)19/h2-9,20H,1H3,(H,21,23)(H,22,24)
InChIKeyMNKCPNGALQMWFK-UHFFFAOYSA-N
XLogP3.48
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide with MolForge

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Related Compounds

3-(1H-imidazol-5-yl)-N-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 163393308
N-methyl-3-[1-(oxetan-3-yl)imidazol-4-yl]-N-propyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide
CID 164596026
N-[2-(1H-imidazol-5-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 10083717
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 60862551
N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 163393892
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 55233325
N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63765889
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464156
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
3-(6,6-dimethyl-5,7-dihydropyrrolo[1,2-a]imidazol-2-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 167308272
2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 175707097

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide (CID 162749527) is 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide is CNS(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cnc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide?
The InChIKey is MNKCPNGALQMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c1-20-26(25)11-3-4-13(12(6-11)14-8-21-9-23-14)24-15-5-2-10(7-22-15)16(17,18)19/h2-9,20H,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide?
3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide has a molecular weight of 381.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide is sourced from PubChem (CID 162749527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).