4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide

C25H26ClN3O4S — CID 100520064

IUPAC4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2Cl)cc1C
InChIInChI=1S/C25H26ClN3O4S/c1-17-3-5-21(15-18(17)2)28-34(31,32)24-16-19(4-10-23(24)26)25(30)27-20-6-8-22(9-7-20)29-11-13-33-14-12-29/h3-10,15-16,28H,11-14H2,1-2H3,(H,27,30)
InChIKeyUUNHXQLBJYMKJZ-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.85
Rot. Bonds6

About 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 100520064) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID100520064
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2Cl)cc1C
InChIInChI=1S/C25H26ClN3O4S/c1-17-3-5-21(15-18(17)2)28-34(31,32)24-16-19(4-10-23(24)26)25(30)27-20-6-8-22(9-7-20)29-11-13-33-14-12-29/h3-10,15-16,28H,11-14H2,1-2H3,(H,27,30)
InChIKeyUUNHXQLBJYMKJZ-UHFFFAOYSA-N
XLogP4.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126416752
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 24537959
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 46763644
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 126336444

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide (CID 100520064) is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2Cl)cc1C.
What is the InChIKey of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is UUNHXQLBJYMKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-17-3-5-21(15-18(17)2)28-34(31,32)24-16-19(4-10-23(24)26)25(30)27-20-6-8-22(9-7-20)29-11-13-33-14-12-29/h3-10,15-16,28H,11-14H2,1-2H3,(H,27,30).
What are the key properties of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide?
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 500.02 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 100520064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).