N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide

C27H23ClN2O4S — CID 70797280

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
SMILESCOc1cccc(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1C
InChIInChI=1S/C27H23ClN2O4S/c1-17-20(7-6-9-26(17)34-2)22-16-19(35(3,32)33)11-12-21(22)27(31)30-18-10-13-24(28)23(15-18)25-8-4-5-14-29-25/h4-16H,1-3H3,(H,30,31)
InChIKeyMGPBFGYRGJUGHK-UHFFFAOYSA-N
MW507.01 g/mol
LogP6.04
Rot. Bonds6

About N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide (PubChem CID 70797280) has the molecular formula C27H23ClN2O4S and a molecular weight of 507.01 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
PubChem CID70797280
Molecular FormulaC27H23ClN2O4S
Molecular Weight507.01 g/mol
Exact Mass506.11
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
SMILESCOc1cccc(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1C
InChIInChI=1S/C27H23ClN2O4S/c1-17-20(7-6-9-26(17)34-2)22-16-19(35(3,32)33)11-12-21(22)27(31)30-18-10-13-24(28)23(15-18)25-8-4-5-14-29-25/h4-16H,1-3H3,(H,30,31)
InChIKeyMGPBFGYRGJUGHK-UHFFFAOYSA-N
XLogP6.04
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.01
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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
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)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
2-(5-chloro-2-methoxyphenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfanylbenzamide
CID 123487588
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797255
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide (CID 70797280) is N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide is COc1cccc(-c2cc(S(C)(=O)=O)ccc2C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1C.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide?
The InChIKey is MGPBFGYRGJUGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4S/c1-17-20(7-6-9-26(17)34-2)22-16-19(35(3,32)33)11-12-21(22)27(31)30-18-10-13-24(28)23(15-18)25-8-4-5-14-29-25/h4-16H,1-3H3,(H,30,31).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide has a molecular weight of 507.01 g/mol, XLogP of 6.04, 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-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 70797280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).