3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide

C24H25N3O6S2 — CID 46771385

IUPAC3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O6S2/c1-33-23-13-12-21(35(31,32)27-14-5-6-15-27)17-22(23)25-24(28)18-8-7-9-19(16-18)26-34(29,30)20-10-3-2-4-11-20/h2-4,7-13,16-17,26H,5-6,14-15H2,1H3,(H,25,28)
InChIKeyUMFPAGNUKHPHHZ-UHFFFAOYSA-N
MW515.61 g/mol
LogP3.53
Rot. Bonds8

About 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide

3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 46771385) has the molecular formula C24H25N3O6S2 and a molecular weight of 515.61 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID46771385
Molecular FormulaC24H25N3O6S2
Molecular Weight515.61 g/mol
Exact Mass515.12
IUPAC Name3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O6S2/c1-33-23-13-12-21(35(31,32)27-14-5-6-15-27)17-22(23)25-24(28)18-8-7-9-19(16-18)26-34(29,30)20-10-3-2-4-11-20/h2-4,7-13,16-17,26H,5-6,14-15H2,1H3,(H,25,28)
InChIKeyUMFPAGNUKHPHHZ-UHFFFAOYSA-N
XLogP3.53
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 46770117
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 43910285
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 46771385) is 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is UMFPAGNUKHPHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S2/c1-33-23-13-12-21(35(31,32)27-14-5-6-15-27)17-22(23)25-24(28)18-8-7-9-19(16-18)26-34(29,30)20-10-3-2-4-11-20/h2-4,7-13,16-17,26H,5-6,14-15H2,1H3,(H,25,28).
What are the key properties of 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide?
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 515.61 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 46771385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).