4-methylsulfonyl-N-(4-phenylphenyl)benzamide

C20H17NO3S — CID 7998967

IUPAC4-methylsulfonyl-N-(4-phenylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NO3S/c1-25(23,24)19-13-9-17(10-14-19)20(22)21-18-11-7-16(8-12-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,21,22)
InChIKeyCZSZBUKUTLUFFB-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.01
Rot. Bonds4

About 4-methylsulfonyl-N-(4-phenylphenyl)benzamide

4-methylsulfonyl-N-(4-phenylphenyl)benzamide (PubChem CID 7998967) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(4-phenylphenyl)benzamide
PubChem CID7998967
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name4-methylsulfonyl-N-(4-phenylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H17NO3S/c1-25(23,24)19-13-9-17(10-14-19)20(22)21-18-11-7-16(8-12-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,21,22)
InChIKeyCZSZBUKUTLUFFB-UHFFFAOYSA-N
XLogP4.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-[4-(chloromethyl)phenyl]-4-methylsulfonylbenzamide
CID 114299897
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-methylsulfonyl-N-(4-phenylphenyl)benzamide (CID 7998967) is 4-methylsulfonyl-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-methylsulfonyl-N-(4-phenylphenyl)benzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-(4-phenylphenyl)benzamide?
The InChIKey is CZSZBUKUTLUFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-25(23,24)19-13-9-17(10-14-19)20(22)21-18-11-7-16(8-12-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,21,22).
What are the key properties of 4-methylsulfonyl-N-(4-phenylphenyl)benzamide?
4-methylsulfonyl-N-(4-phenylphenyl)benzamide has a molecular weight of 351.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 7998967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).