4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide

C27H23ClN2O3S — CID 2228302

IUPAC4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C27H23ClN2O3S/c1-18-12-13-19(2)25(16-18)30-34(32,33)26-17-21(14-15-23(26)28)27(31)29-24-11-7-6-10-22(24)20-8-4-3-5-9-20/h3-17,30H,1-2H3,(H,29,31)
InChIKeyZQJTYJZLKBRKPC-UHFFFAOYSA-N
MW491.01 g/mol
LogP6.68
Rot. Bonds6

About 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide

4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide (PubChem CID 2228302) has the molecular formula C27H23ClN2O3S and a molecular weight of 491.01 g/mol. Its IUPAC name is 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide
PubChem CID2228302
Molecular FormulaC27H23ClN2O3S
Molecular Weight491.01 g/mol
Exact Mass490.11
IUPAC Name4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C27H23ClN2O3S/c1-18-12-13-19(2)25(16-18)30-34(32,33)26-17-21(14-15-23(26)28)27(31)29-24-11-7-6-10-22(24)20-8-4-3-5-9-20/h3-17,30H,1-2H3,(H,29,31)
InChIKeyZQJTYJZLKBRKPC-UHFFFAOYSA-N
XLogP6.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.01
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide (CID 2228302) is 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide?
The InChIKey is ZQJTYJZLKBRKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O3S/c1-18-12-13-19(2)25(16-18)30-34(32,33)26-17-21(14-15-23(26)28)27(31)29-24-11-7-6-10-22(24)20-8-4-3-5-9-20/h3-17,30H,1-2H3,(H,29,31).
What are the key properties of 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide?
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide has a molecular weight of 491.01 g/mol, XLogP of 6.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 2228302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).