N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide

C26H20ClFN2OS — CID 123710564

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2cc(C)ccc2F)c1
InChIInChI=1S/C26H20ClFN2OS/c1-16-6-11-24(28)21(13-16)20-15-18(32-2)8-9-19(20)26(31)30-17-7-10-23(27)22(14-17)25-5-3-4-12-29-25/h3-15H,1-2H3,(H,30,31)
InChIKeySQVOSBSCWMEDSV-UHFFFAOYSA-N
MW462.98 g/mol
LogP7.49
Rot. Bonds5

About N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide (PubChem CID 123710564) has the molecular formula C26H20ClFN2OS and a molecular weight of 462.98 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide
PubChem CID123710564
Molecular FormulaC26H20ClFN2OS
Molecular Weight462.98 g/mol
Exact Mass462.10
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2cc(C)ccc2F)c1
InChIInChI=1S/C26H20ClFN2OS/c1-16-6-11-24(28)21(13-16)20-15-18(32-2)8-9-19(20)26(31)30-17-7-10-23(27)22(14-17)25-5-3-4-12-29-25/h3-15H,1-2H3,(H,30,31)
InChIKeySQVOSBSCWMEDSV-UHFFFAOYSA-N
XLogP7.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfanylbenzamide
CID 123487588
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 70797233
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide
CID 70797407
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
CID 70797280
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-[4-chloro-3-(1,3-thiazol-2-yl)phenyl]-2-(4-fluorophenyl)-4-methylsulfanylbenzamide
CID 123801250

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide (CID 123710564) is N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2cc(C)ccc2F)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide?
The InChIKey is SQVOSBSCWMEDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN2OS/c1-16-6-11-24(28)21(13-16)20-15-18(32-2)8-9-19(20)26(31)30-17-7-10-23(27)22(14-17)25-5-3-4-12-29-25/h3-15H,1-2H3,(H,30,31).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide has a molecular weight of 462.98 g/mol, XLogP of 7.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 123710564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).