N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

C28H26ClN3O5S2 — CID 126172617

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C28H26ClN3O5S2/c1-20-6-3-4-7-22(20)19-32(38(2,34)35)26-14-10-21(11-15-26)28(33)30-24-12-16-27(17-13-24)39(36,37)31-25-9-5-8-23(29)18-25/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyDUWFTUPJNLPODB-UHFFFAOYSA-N
MW584.12 g/mol
LogP5.67
Rot. Bonds9

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 126172617) has the molecular formula C28H26ClN3O5S2 and a molecular weight of 584.12 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID126172617
Molecular FormulaC28H26ClN3O5S2
Molecular Weight584.12 g/mol
Exact Mass583.10
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C28H26ClN3O5S2/c1-20-6-3-4-7-22(20)19-32(38(2,34)35)26-14-10-21(11-15-26)28(33)30-24-12-16-27(17-13-24)39(36,37)31-25-9-5-8-23(29)18-25/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyDUWFTUPJNLPODB-UHFFFAOYSA-N
XLogP5.67
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.12
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126182412
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882178
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43880944
4-[benzyl(methylsulfonyl)amino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43880749
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 99941660
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21367810
N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1315945
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43881768
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 21372805
N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117559
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-fluorophenyl)benzamide
CID 1311064

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 126172617) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is DUWFTUPJNLPODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O5S2/c1-20-6-3-4-7-22(20)19-32(38(2,34)35)26-14-10-21(11-15-26)28(33)30-24-12-16-27(17-13-24)39(36,37)31-25-9-5-8-23(29)18-25/h3-18,31H,19H2,1-2H3,(H,30,33).
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 584.12 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 126172617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).