3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

C25H26ClN3O7S2 — CID 4852011

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C25H26ClN3O7S2/c1-28(20-7-4-6-19(26)16-20)37(31,32)21-8-3-5-18(15-21)25(30)27-23-17-22(9-10-24(23)35-2)38(33,34)29-11-13-36-14-12-29/h3-10,15-17H,11-14H2,1-2H3,(H,27,30)
InChIKeyFXRKHNXSOLFIFI-UHFFFAOYSA-N
MW580.08 g/mol
LogP3.45
Rot. Bonds8

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4852011) has the molecular formula C25H26ClN3O7S2 and a molecular weight of 580.08 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4852011
Molecular FormulaC25H26ClN3O7S2
Molecular Weight580.08 g/mol
Exact Mass579.09
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C25H26ClN3O7S2/c1-28(20-7-4-6-19(26)16-20)37(31,32)21-8-3-5-18(15-21)25(30)27-23-17-22(9-10-24(23)35-2)38(33,34)29-11-13-36-14-12-29/h3-10,15-17H,11-14H2,1-2H3,(H,27,30)
InChIKeyFXRKHNXSOLFIFI-UHFFFAOYSA-N
XLogP3.45
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.08
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 38019961
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892727
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789
1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 39991041
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-(2,5-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46797680

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 4852011) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is FXRKHNXSOLFIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O7S2/c1-28(20-7-4-6-19(26)16-20)37(31,32)21-8-3-5-18(15-21)25(30)27-23-17-22(9-10-24(23)35-2)38(33,34)29-11-13-36-14-12-29/h3-10,15-17H,11-14H2,1-2H3,(H,27,30).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 580.08 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4852011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).