4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide

C11H15NO6S2 — CID 56800656

IUPAC4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C11H15NO6S2/c1-18-7-8-20(16,17)10-5-3-9(4-6-10)11(13)12-19(2,14)15/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyRPMAYQVRIMMSME-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.20
Rot. Bonds6

About 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide

4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide (PubChem CID 56800656) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
PubChem CID56800656
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Name4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C11H15NO6S2/c1-18-7-8-20(16,17)10-5-3-9(4-6-10)11(13)12-19(2,14)15/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyRPMAYQVRIMMSME-UHFFFAOYSA-N
XLogP-0.20
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
3-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]butanoic acid
CID 119220935
(2S)-2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 119366395
[4-(2-methoxyethylsulfonyl)phenyl]boronic acid
CID 67229169
4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451105
5-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110719
N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-(2-methoxyethylsulfonyl)benzamide
CID 95778205
4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511489
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-methoxyethylsulfonyl)benzamide;hydrochloride
CID 119573538
S-[2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56577038
2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244941
2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545898

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide?
The IUPAC name of 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide (CID 56800656) is 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide is COCCS(=O)(=O)c1ccc(C(=O)NS(C)(=O)=O)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide?
The InChIKey is RPMAYQVRIMMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-18-7-8-20(16,17)10-5-3-9(4-6-10)11(13)12-19(2,14)15/h3-6H,7-8H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide?
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide has a molecular weight of 321.38 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide is sourced from PubChem (CID 56800656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).