2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide

C18H20ClN3O4S — CID 100522117

IUPAC2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O4S/c1-27(24,25)21-14-4-7-16(17(19)12-14)18(23)20-13-2-5-15(6-3-13)22-8-10-26-11-9-22/h2-7,12,21H,8-11H2,1H3,(H,20,23)
InChIKeyWCUDDYRVEUBXAO-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.80
Rot. Bonds5

About 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide

2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 100522117) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID100522117
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O4S/c1-27(24,25)21-14-4-7-16(17(19)12-14)18(23)20-13-2-5-15(6-3-13)22-8-10-26-11-9-22/h2-7,12,21H,8-11H2,1H3,(H,20,23)
InChIKeyWCUDDYRVEUBXAO-UHFFFAOYSA-N
XLogP2.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.80
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

2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522105
2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519885
2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92681738
2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1396003
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
2-chloro-4-(methanesulfonamido)-N-naphthalen-2-ylbenzamide
CID 99951407
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100520064
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502708

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide (CID 100522117) is 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is WCUDDYRVEUBXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-27(24,25)21-14-4-7-16(17(19)12-14)18(23)20-13-2-5-15(6-3-13)22-8-10-26-11-9-22/h2-7,12,21H,8-11H2,1H3,(H,20,23).
What are the key properties of 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide?
2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 409.90 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 100522117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).