N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide

C22H17Cl2FN2O4S — CID 34164652

IUPACN-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1
InChIInChI=1S/C22H17Cl2FN2O4S/c1-12-3-6-14(25)9-17(12)22(29)26-15-10-18(23)20(19(24)11-15)27-21(28)13-4-7-16(8-5-13)32(2,30)31/h3-11H,1-2H3,(H,26,29)(H,27,28)
InChIKeyYJKQHGPQQSULNJ-UHFFFAOYSA-N
MW495.36 g/mol
LogP5.35
Rot. Bonds5

About N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide

N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide (PubChem CID 34164652) has the molecular formula C22H17Cl2FN2O4S and a molecular weight of 495.36 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide
PubChem CID34164652
Molecular FormulaC22H17Cl2FN2O4S
Molecular Weight495.36 g/mol
Exact Mass494.03
IUPAC NameN-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1
InChIInChI=1S/C22H17Cl2FN2O4S/c1-12-3-6-14(25)9-17(12)22(29)26-15-10-18(23)20(19(24)11-15)27-21(28)13-4-7-16(8-5-13)32(2,30)31/h3-11H,1-2H3,(H,26,29)(H,27,28)
InChIKeyYJKQHGPQQSULNJ-UHFFFAOYSA-N
XLogP5.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.36
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 71969035
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
N-[2,6-dichloro-4-(3-cyclohexylpropanoylamino)phenyl]-4-methylsulfonylbenzamide
CID 55557340
N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
CID 79758879
N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
CID 33219668
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide (CID 34164652) is N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1.
What is the InChIKey of N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide?
The InChIKey is YJKQHGPQQSULNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN2O4S/c1-12-3-6-14(25)9-17(12)22(29)26-15-10-18(23)20(19(24)11-15)27-21(28)13-4-7-16(8-5-13)32(2,30)31/h3-11H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide?
N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide has a molecular weight of 495.36 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 34164652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).