2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide

C26H20FN3O4S — CID 70797434

IUPAC2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)c(-c2cccc(F)c2C(N)=O)c1
InChIInChI=1S/C26H20FN3O4S/c1-35(33,34)18-11-12-20(21(15-18)19-8-5-9-22(27)24(19)25(28)31)26(32)30-17-7-4-6-16(14-17)23-10-2-3-13-29-23/h2-15H,1H3,(H2,28,31)(H,30,32)
InChIKeyHLYVASYLJUSZNP-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.31
Rot. Bonds6

About 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide

2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 70797434) has the molecular formula C26H20FN3O4S and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
PubChem CID70797434
Molecular FormulaC26H20FN3O4S
Molecular Weight489.53 g/mol
Exact Mass489.12
IUPAC Name2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)c(-c2cccc(F)c2C(N)=O)c1
InChIInChI=1S/C26H20FN3O4S/c1-35(33,34)18-11-12-20(21(15-18)19-8-5-9-22(27)24(19)25(28)31)26(32)30-17-7-4-6-16(14-17)23-10-2-3-13-29-23/h2-15H,1H3,(H2,28,31)(H,30,32)
InChIKeyHLYVASYLJUSZNP-UHFFFAOYSA-N
XLogP4.31
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797255
4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 70797526
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-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
CID 70797280
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide
CID 70797407
1-(2-chloro-4-methylsulfonylphenyl)-3-(3-pyridin-2-ylphenyl)urea
CID 142392133
3-(methylamino)-4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392099
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(4-methoxy-3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797287
2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide
CID 123388410
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-2-[3-(trifluoromethyl)phenyl]benzamide
CID 50913568
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide (CID 70797434) is 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide is CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)c(-c2cccc(F)c2C(N)=O)c1.
What is the InChIKey of 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is HLYVASYLJUSZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O4S/c1-35(33,34)18-11-12-20(21(15-18)19-8-5-9-22(27)24(19)25(28)31)26(32)30-17-7-4-6-16(14-17)23-10-2-3-13-29-23/h2-15H,1H3,(H2,28,31)(H,30,32).
What are the key properties of 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide?
2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 489.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 70797434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).