N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide

C26H20ClFN2O4S — CID 70797407

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide
SMILESCOc1ccc(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(F)c1
InChIInChI=1S/C26H20ClFN2O4S/c1-34-17-7-9-19(24(28)14-17)21-15-18(35(2,32)33)8-10-20(21)26(31)30-16-6-11-23(27)22(13-16)25-5-3-4-12-29-25/h3-15H,1-2H3,(H,30,31)
InChIKeySRQKOQAXJNBGHO-UHFFFAOYSA-N
MW510.97 g/mol
LogP5.87
Rot. Bonds6

About N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide (PubChem CID 70797407) has the molecular formula C26H20ClFN2O4S and a molecular weight of 510.97 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide
PubChem CID70797407
Molecular FormulaC26H20ClFN2O4S
Molecular Weight510.97 g/mol
Exact Mass510.08
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide
SMILESCOc1ccc(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(F)c1
InChIInChI=1S/C26H20ClFN2O4S/c1-34-17-7-9-19(24(28)14-17)21-15-18(35(2,32)33)8-10-20(21)26(31)30-16-6-11-23(27)22(13-16)25-5-3-4-12-29-25/h3-15H,1-2H3,(H,30,31)
InChIKeySRQKOQAXJNBGHO-UHFFFAOYSA-N
XLogP5.87
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.97
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
CID 70797280
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 70797233
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(4-methoxy-3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797287
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
4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797255
2-(5-chloro-2-methoxyphenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfanylbenzamide
CID 123487588
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-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide
CID 123710564
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797434

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide (CID 70797407) is N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide is COc1ccc(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(F)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide?
The InChIKey is SRQKOQAXJNBGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN2O4S/c1-34-17-7-9-19(24(28)14-17)21-15-18(35(2,32)33)8-10-20(21)26(31)30-16-6-11-23(27)22(13-16)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-4-methoxyphenyl)-4-methylsulfonylbenzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide has a molecular weight of 510.97 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 70797407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).