N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide

C26H29N3O6S2 — CID 43915882

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)cc1C
InChIInChI=1S/C26H29N3O6S2/c1-19-3-8-24(17-20(19)2)28-37(33,34)25-11-9-23(10-12-25)27-26(30)22-6-4-21(5-7-22)18-36(31,32)29-13-15-35-16-14-29/h3-12,17,28H,13-16,18H2,1-2H3,(H,27,30)
InChIKeyPIWRHEXSWZKARX-UHFFFAOYSA-N
MW543.67 g/mol
LogP3.52
Rot. Bonds8

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide (PubChem CID 43915882) has the molecular formula C26H29N3O6S2 and a molecular weight of 543.67 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
PubChem CID43915882
Molecular FormulaC26H29N3O6S2
Molecular Weight543.67 g/mol
Exact Mass543.15
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)cc1C
InChIInChI=1S/C26H29N3O6S2/c1-19-3-8-24(17-20(19)2)28-37(33,34)25-11-9-23(10-12-25)27-26(30)22-6-4-21(5-7-22)18-36(31,32)29-13-15-35-16-14-29/h3-12,17,28H,13-16,18H2,1-2H3,(H,27,30)
InChIKeyPIWRHEXSWZKARX-UHFFFAOYSA-N
XLogP3.52
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.67
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 22108828
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99949801
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99957022
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100523110
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92671481

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide (CID 43915882) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)cc1C.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The InChIKey is PIWRHEXSWZKARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6S2/c1-19-3-8-24(17-20(19)2)28-37(33,34)25-11-9-23(10-12-25)27-26(30)22-6-4-21(5-7-22)18-36(31,32)29-13-15-35-16-14-29/h3-12,17,28H,13-16,18H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide has a molecular weight of 543.67 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 43915882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).