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

C14H22N2O6S2 — CID 110300194

IUPAC2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C14H22N2O6S2/c1-21-13-4-3-12(23(2,17)18)11-14(13)24(19,20)15-5-6-16-7-9-22-10-8-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyFINMQCYBYYASBX-UHFFFAOYSA-N
MW378.47 g/mol
LogP-0.29
Rot. Bonds7

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

2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 110300194) has the molecular formula C14H22N2O6S2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID110300194
Molecular FormulaC14H22N2O6S2
Molecular Weight378.47 g/mol
Exact Mass378.09
IUPAC Name2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C14H22N2O6S2/c1-21-13-4-3-12(23(2,17)18)11-14(13)24(19,20)15-5-6-16-7-9-22-10-8-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyFINMQCYBYYASBX-UHFFFAOYSA-N
XLogP-0.29
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258
2-methoxy-5-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999802
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
2-methoxy-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110758317
2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 110300192
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid
CID 120820491
4-methylsulfonyl-1-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine
CID 43448000
5-[[4-methoxy-3-(2-morpholin-4-ylethylsulfamoyl)benzoyl]amino]-2-[2-[4-[[4-methoxy-3-(2-morpholin-4-ylethylsulfamoyl)benzoyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 54426454

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 110300194) is 2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is FINMQCYBYYASBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S2/c1-21-13-4-3-12(23(2,17)18)11-14(13)24(19,20)15-5-6-16-7-9-22-10-8-16/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of -0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110300194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).