4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide

C25H27Cl2N3O6S2 — CID 43909499

IUPAC4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C25H27Cl2N3O6S2/c1-16(2)29-38(34,35)19-12-13-24(36-3)23(14-19)28-25(31)17-8-10-18(11-9-17)30(37(4,32)33)15-20-21(26)6-5-7-22(20)27/h5-14,16,29H,15H2,1-4H3,(H,28,31)
InChIKeyLMUDIGNIVSQBOM-UHFFFAOYSA-N
MW600.55 g/mol
LogP4.91
Rot. Bonds10

About 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide

4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 43909499) has the molecular formula C25H27Cl2N3O6S2 and a molecular weight of 600.55 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID43909499
Molecular FormulaC25H27Cl2N3O6S2
Molecular Weight600.55 g/mol
Exact Mass599.07
IUPAC Name4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C25H27Cl2N3O6S2/c1-16(2)29-38(34,35)19-12-13-24(36-3)23(14-19)28-25(31)17-8-10-18(11-9-17)30(37(4,32)33)15-20-21(26)6-5-7-22(20)27/h5-14,16,29H,15H2,1-4H3,(H,28,31)
InChIKeyLMUDIGNIVSQBOM-UHFFFAOYSA-N
XLogP4.91
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.55
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 46763080
3-(2,6-dichlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 100602358
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 92675116
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 28579384
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92676515
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 28636465
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylphenyl)benzamide
CID 53282683
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylsulfanylphenyl)benzamide
CID 92672707
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92684341
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide (CID 43909499) is 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is LMUDIGNIVSQBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O6S2/c1-16(2)29-38(34,35)19-12-13-24(36-3)23(14-19)28-25(31)17-8-10-18(11-9-17)30(37(4,32)33)15-20-21(26)6-5-7-22(20)27/h5-14,16,29H,15H2,1-4H3,(H,28,31).
What are the key properties of 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 600.55 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 43909499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).