5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C19H24N2O6S2 — CID 25180258

IUPAC5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C19H24N2O6S2/c1-26-18-8-7-17(28(22,23)16-5-3-2-4-6-16)15-19(18)29(24,25)20-9-10-21-11-13-27-14-12-21/h2-8,15,20H,9-14H2,1H3
InChIKeyNXOJTTQGRLMGGG-UHFFFAOYSA-N
MW440.54 g/mol
LogP1.14
Rot. Bonds8

About 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 25180258) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID25180258
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C19H24N2O6S2/c1-26-18-8-7-17(28(22,23)16-5-3-2-4-6-16)15-19(18)29(24,25)20-9-10-21-11-13-27-14-12-21/h2-8,15,20H,9-14H2,1H3
InChIKeyNXOJTTQGRLMGGG-UHFFFAOYSA-N
XLogP1.14
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
N-[2-methoxy-5-(2-morpholin-4-ylethylsulfamoyl)phenyl]acetamide
CID 8777848
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267350
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
2-methoxy-5-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999802
5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 57430151
2-methoxy-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110758317
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267400
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 25180258) is 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is NXOJTTQGRLMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-26-18-8-7-17(28(22,23)16-5-3-2-4-6-16)15-19(18)29(24,25)20-9-10-21-11-13-27-14-12-21/h2-8,15,20H,9-14H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 440.54 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 25180258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).