N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide

C27H23Cl2N3O5S2 — CID 126412405

IUPACN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1C
InChIInChI=1S/C27H23Cl2N3O5S2/c1-17-6-3-4-8-23(17)31-39(36,37)25-16-19(11-10-18(25)2)27(33)30-20-12-14-21(15-13-20)38(34,35)32-24-9-5-7-22(28)26(24)29/h3-16,31-32H,1-2H3,(H,30,33)
InChIKeyBMYXSNHSWTWRSO-UHFFFAOYSA-N
MW604.54 g/mol
LogP6.46
Rot. Bonds8

About N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 126412405) has the molecular formula C27H23Cl2N3O5S2 and a molecular weight of 604.54 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID126412405
Molecular FormulaC27H23Cl2N3O5S2
Molecular Weight604.54 g/mol
Exact Mass603.05
IUPAC NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1C
InChIInChI=1S/C27H23Cl2N3O5S2/c1-17-6-3-4-8-23(17)31-39(36,37)25-16-19(11-10-18(25)2)27(33)30-20-12-14-21(15-13-20)38(34,35)32-24-9-5-7-22(28)26(24)29/h3-16,31-32H,1-2H3,(H,30,33)
InChIKeyBMYXSNHSWTWRSO-UHFFFAOYSA-N
XLogP6.46
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.54
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3692029
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3982967
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5131811
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126412486
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 2226252
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 126181507
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3879264
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 126412405) is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1C.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is BMYXSNHSWTWRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N3O5S2/c1-17-6-3-4-8-23(17)31-39(36,37)25-16-19(11-10-18(25)2)27(33)30-20-12-14-21(15-13-20)38(34,35)32-24-9-5-7-22(28)26(24)29/h3-16,31-32H,1-2H3,(H,30,33).
What are the key properties of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 604.54 g/mol, XLogP of 6.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 126412405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).