4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide

C27H23ClN2O4S — CID 28589773

IUPAC4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C27H23ClN2O4S/c1-35(32,33)30(19-21-7-5-6-10-26(21)28)23-15-11-20(12-16-23)27(31)29-22-13-17-25(18-14-22)34-24-8-3-2-4-9-24/h2-18H,19H2,1H3,(H,29,31)
InChIKeyHASYSJPJSQBSEE-UHFFFAOYSA-N
MW507.01 g/mol
LogP6.35
Rot. Bonds8

About 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide

4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide (PubChem CID 28589773) has the molecular formula C27H23ClN2O4S and a molecular weight of 507.01 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide
PubChem CID28589773
Molecular FormulaC27H23ClN2O4S
Molecular Weight507.01 g/mol
Exact Mass506.11
IUPAC Name4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C27H23ClN2O4S/c1-35(32,33)30(19-21-7-5-6-10-26(21)28)23-15-11-20(12-16-23)27(31)29-22-13-17-25(18-14-22)34-24-8-3-2-4-9-24/h2-18H,19H2,1H3,(H,29,31)
InChIKeyHASYSJPJSQBSEE-UHFFFAOYSA-N
XLogP6.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.01
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 21372805
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-fluorophenyl)benzamide
CID 1311064
N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1315945
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 99941660
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882178
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
ethyl 4-[[2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate
CID 30130866
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100564011
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
CID 1311662
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 140515247
N-[(2R)-butan-2-yl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1312128
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide (CID 28589773) is 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide?
The InChIKey is HASYSJPJSQBSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4S/c1-35(32,33)30(19-21-7-5-6-10-26(21)28)23-15-11-20(12-16-23)27(31)29-22-13-17-25(18-14-22)34-24-8-3-2-4-9-24/h2-18H,19H2,1H3,(H,29,31).
What are the key properties of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide?
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide has a molecular weight of 507.01 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 28589773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).