2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C25H26ClN3O4S — CID 92680117

IUPAC2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1
InChIInChI=1S/C25H26ClN3O4S/c1-18-2-9-22(10-3-18)34(31,32)28-20-6-11-24(26)23(16-20)25(30)27-17-19-4-7-21(8-5-19)29-12-14-33-15-13-29/h2-11,16,28H,12-15,17H2,1H3,(H,27,30)
InChIKeyGYSFQHQYCKZTRB-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.22
Rot. Bonds7

About 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 92680117) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID92680117
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC Name2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1
InChIInChI=1S/C25H26ClN3O4S/c1-18-2-9-22(10-3-18)34(31,32)28-20-6-11-24(26)23(16-20)25(30)27-17-19-4-7-21(8-5-19)29-12-14-33-15-13-29/h2-11,16,28H,12-15,17H2,1H3,(H,27,30)
InChIKeyGYSFQHQYCKZTRB-UHFFFAOYSA-N
XLogP4.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522105
2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671640
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038
2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 94027819
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 17497543
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591343
3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8003799
N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 92680117) is 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(N4CCOCC4)cc3)c2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is GYSFQHQYCKZTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-18-2-9-22(10-3-18)34(31,32)28-20-6-11-24(26)23(16-20)25(30)27-17-19-4-7-21(8-5-19)29-12-14-33-15-13-29/h2-11,16,28H,12-15,17H2,1H3,(H,27,30).
What are the key properties of 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 500.02 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 92680117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).